北京化工大学雷鸣个人主页-教授-化学学院

论文信息

[+][-]代表性论文

1. DOI Liu, Jingjiao,张娇娇,Sun, Min,Li, Hongming,雷鸣,黄启谷
Ethylene/Polar Monomer Copolymerization by [N, P] Ti Complexes: Polar Copolymers with Ultrahigh-Molecular Weight[期刊论文]，ACS OMEGA，2024-03-19
2. DOI 唐艳辉,蒲敏,雷鸣
Cyclopentadienone Diphosphine Ruthenium Complex: A Designed Catalyst for the Hydrogenation of Carbon Dioxide to Methanol[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2024-02-02
3. DOI Zhang, Lin,雷鸣,Cao, Zexing
Hydroboration Reduction of CO2 Catalyzed by a Doubly Reduced Arylborane: DFT Insight into Double Active-Site and CO2 Self-Promoting Single Active-Site Mechanisms and Counterion Effects[期刊论文]，ACS Catalysis，2023-12-19
4. DOI Yunfan Yue,Tian Ma,Yaqi Zhao,Xiaofan Shi,Yanhui Tang,蒲敏,雷鸣
The Theoretical Design of Manganese Catalysts with Si-N-Si-C-Si-C Six-membered Ring Core-based Bowl-shaped Quadridentate Ligand for the Hydrogenation of C=O/C=N Bonds[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-09-27
5. DOI Haohao Wang,Caiwei Yue,Jirui Du,蒲敏,雷鸣
First Principles Study on the Mechanism of Nitrobenzene Hydrogenation by a Ni1/CeO2-x(111) Single-Atom Catalyst[期刊论文]，Journal of Physical Chemistry C，2023-08-31
6. DOI Xiangling Luo,李哲伟,Yuzhen Zheng,Yueping Lin,Huangfeng Jiang,Lukas J. Goo？en,雷鸣,Liangbin Huang
Ligand-Enabled ortho-Arylation of (hetero)Aromatic Acids with 2,6-Disubstituted Aryl Halides[期刊论文]，ACS Catal.，2023-08-30
7. DOI Zhenli Luo,Zhewei Li,Haoqiang Zhao,Ji Yang,Lijin Xu,雷鸣,Qinghua Fan,Patrick J. Walsh
Borane-Catalyzed Tandem Cyclization/Hydrosilylation Towards Enantio- and Diastereoselective Construction of trans-2,3-Disubstituted-1,2,3,4-Tetrahydroquinoxalines[期刊论文]，Angewandte Chemie-International Edition，2023-08-07
8. DOI Chen, Ziqiang,Qi, Hexiang,王好好,岳彩巍,刘阳秋,杨作银,蒲敏,雷鸣
The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-07-19
9. DOI Yulan Dai,Zhewei Li,蒲敏,雷鸣
Understanding the Mechanism and Selectivity of 1,1-Diborylalkanes from Alkenes Catalyzed by Zirconium Complex[期刊论文]，INORGANIC CHEMISTRY，2023-07-10
10. DOI Ali, Qaim,李哲伟,张林,骆宸光,蒲敏,雷鸣
DFT Mechanistic Investigation on Manganese Pincer Complex Catalysed Cross-Coupling of Methanol with Benzyl Alcohol to Afford Methyl Benzoate[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2023-06-22
11. DOI 金登雨,Xu, Jinjiang,Zhang, Haobin,雷鸣,Sun, Jie
Comparative Study of Experiments and Calculations on the Guest Molecules' Escaping Mechanism of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2023-06-12
12. DOI 温静,Zhewei Li,Yanhui Tang,蒲敏,雷鸣
Mechanistic Insight of Amides Formation from Aryl Epoxides and Amines Catalyzed by Ruthenium Pincer Complexes: A DFT Study[期刊论文]，DALTON TRANSACTIONS，2023-05-19
13. DOI Bin Wang,荣春英,雷鸣,Shubin Liu,Frank De Proft
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex[期刊论文]，INORGANIC CHEMISTRY，2023-05-15
14. DOI 刘阳秋,祁鹤翔,雷鸣
Improved Elastic Image Pair Method for Finding Transition States[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2023-04-25
15. DOI 张培焕,Zhu, Yue,Li, Zhewei,王珞聪,岳彩巍,雷鸣,蒲敏
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
16. DOI Jiang, Kai,王好好,Xie, Yi,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Remote-Group-Assisted Facile Oxidative Arylation of Furans and Pyrroles[期刊论文]，ACS Catalysis，2023-03-17
17. DOI 戴玉兰,Yuan, Binfang,李哲伟,张林,李龙飞,蒲敏,雷鸣
Density Functional Theory Study on the H2-Acceptorless Dehydrogenative Boration of Alkenes Catalyzed by a Zirconium Complex[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-12-16
18. DOI 马雪璐,李蒙,雷鸣
三核过渡金属配合物在催化反应中的研究进展[期刊论文]，化学学报，2022-12-06
19. DOI Ali, Qaim,陈永勇,张瑞雪,李哲伟,唐艳辉,蒲敏,雷鸣
The Origin of Stereoselectivity in the Hydrogenation of Oximes Catalyzed by Iridium Complexes: A DFT Mechanistic Study[期刊论文]，MOLECULES，2022-11-30
20. DOI 岳彩巍,王珞聪,王好好,杜吉瑞,雷鸣,蒲敏
First-Principles Study on the Electrocatalytic Oxygen Evolution Reaction on the (110) Surfaces of Layered Double Hydroxides[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2022-11-03
21. DOI 刘雪慧,王好好,李伟丹,陈佳雯,房嘉琪,Yan, Xiaoying,Mi, Shuo,洪崧,雷鸣,殷雄,Bai, Lu,Guo, Yanjun,Xu, Rui,Cheng, Zhihai,汪乐余
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
22. DOI Zhu, Baiyao,李哲伟,Chen, Fulin,Xiong, Wenfang,Tan, Xiaobin,雷鸣,Wu, Wanqing,Jiang, Huanfeng
Palladium-catalyzed oxidative Heck reaction of non-activated alkenes directed by fluorinated alcohol[期刊论文]，Chemical Communications，2022-10-20
23. DOI Lulu Zhang,Caiwei Yue,Lin Zhang,Peihuan Zhang,Luocong Wang,雷鸣,蒲敏
A DFT Study on the Isomerization Mechanism of Azobenzene Derivatives on Silicon Substrate[期刊论文]，New Journal of Chemistry，2022-10-19
24. DOI Li, Meng,张瑞雪,Gao, Qiushan,Jiang, Huanfeng,雷鸣,Wu, Wanqing
Divergent Synthesis of Fused Tetracyclic Heterocycles from Diarylalkynes Enabled by the Selective Insertion of Isocyanide[期刊论文]，Angewandte Chemie - International Edition，2022-10-17
25. DOI 张培焕,李哲伟,刘阳秋,史福兴,王珞聪,蒲敏,雷鸣
Hydride Relay Exchange Mechanism for the Heterocyclic C-H Arylation of Benzofuran and Benzothiophene Catalyzed by Pd Complexes[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-10-07
26. DOI Ding, Yangming,Guo, Tenglong,李哲伟,Zhang, Bo,Kühn, Fritz E.,Liu, Chang,Zhang, Jian,Xu, Dezhu,雷鸣,Zhang, Tao,Li, Changzhi
Transition-Metal-Free Synthesis of Functionalized Quinolines by Direct Conversion of β-O-4 Model Compounds[期刊论文]，Angewandte Chemie-International Edition，2022-09-19
27. DOI 王好好,史福兴,蒲敏,雷鸣
Theoretical Study on Nitrobenzene Hydrogenation by N-Doped Carbon-Supported Late Transition Metal Single-Atom Catalysts[期刊论文]，ACS Catalysis，2022-09-16
28. DOI 刘新原,史福兴,金超超,Liu, Binbin,雷鸣,谭嘉靖
Stereospecific synthesis of monofluoroalkenes and their deuterated analogues via Ag-catalyzed decarboxylation[期刊论文]，Journal of Catalysis，2022-09-01
29. DOI 史福兴,Ren, Xiaochuan,王好好,蒲敏,刘力,雷鸣
Neutral Phosphine-Sulfonate Pd Complex-Catalyzed Copolymerization of 2-Methoxystyrene and Ethylene Polar Monomers: A DFT Mechanistic Study[期刊论文]，ACS Applied Polymer Materials，2022-08-12
30. DOI 刘阳秋,祁鹤翔,雷鸣
Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2022-08-09
31. DOI 李哲伟,张会丽,谭天伟,雷鸣
The mechanism of direct reductive amination of aldehyde and amine with formic acid catalyzed by boron trifluoride complexes: insights from a DFT study[期刊论文]，Catalysis Science and Technology，2022-08-02
32. DOI 盛晨曦,李哲伟,蒲敏,雷鸣
Theoretical study on the mechanism of the benzaldehyde deoxyfluorination by sulfuryl fluoride and tetramethylammonium fluoride[期刊论文]，Journal of Physical Organic Chemistry，2022-08-01
33. DOI 付宏远,姚嘉,张铭,薛灵伟,周秋菊,李尚宇,雷鸣,孟磊,张志国,李永舫
Low-cost synthesis of small molecule acceptors makes polymer solar cells commercially viable[期刊论文]，Nature Communications，2022-06-27
34. DOI 祁鹤翔,刘阳秋,蒲敏,杨作银,李亚平,雷鸣
分子点群虚拟仿真实验的建设与实践[期刊论文]，化学教育(中英文)，2022-06-18
35. DOI Zhang, Bo,Guo, Tenglong,李哲伟,Kuhn, Fritz E.,雷鸣,Zhao, Zongbao K.,Xiao, Jianliang,Zhang, Jian,Xu, Dezhu,Zhang, Tao,Li, Changzhi
Transition-metal-free synthesis of pyrimidines from lignin beta-O-4 segments via a one-pot multi-component reaction[期刊论文]，NATURE COMMUNICATIONS，2022-06-11
36. DOI 周颖,赵娅琦,史晓帆,唐艳辉,杨作银,蒲敏,雷鸣
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
37. DOI 赵娅琦,张林,唐艳辉,蒲敏,雷鸣
A theoretical study of asymmetric ketone hydrogenation catalyzed by Mn complexes: from the catalytic mechanism to the catalyst design[期刊论文]，Physical Chemistry Chemical Physics，2022-05-09
38. DOI 雷鸣,陈星钰,王英杰,张丽然,朱红,王智谦
Homogeneous and Heterogeneous Pd-Catalyzed Selective C-PActivation and Transfer Hydrogenation for?Group-Substitution?Synthesis of Trivalent Phosphines[期刊论文]，ORGANIC LETTERS，2022-04-22
39. DOI 王珞聪,李哲伟,岳彩巍,张培焕,雷鸣,蒲敏
电场下偶氮苯衍生物分子顺反异构化反应机理的理论研究[期刊论文]，化学学报，2022-04-12
40. DOI 张林,赵娅琦,刘翀,蒲敏,雷鸣,曹泽星
Hydroboration of CO2to Methyl Boronate Catalyzed by a Manganese Pincer Complex: Insights into the Reaction Mechanism and Ligand Effect[期刊论文]，Inorganic Chemistry，2022-04-11
41. DOI 祁鹤翔,王智鹏,彭鼎,韩丰泽,刘阳秋,蒲敏,杨作银,李亚平,安赛,雷鸣
分子点群的判别[期刊论文]，大学化学.，2022-03-16
42. DOI Quan, Zhuo,Mao, Li,Tang, Yi-Qi,雷鸣,Zhu, Ben-Zhan,Liu, Ya-Jun
Mechanistic Investigation of H2O2-dependent Chemiluminescence from Tetrabromo-1,4-Benzoquinone[期刊论文]，CHEMPHYSCHEM，2022-03-04
43. DOI 王锐,刘阳秋,王骞阅,张林,李哲伟,蒲敏,雷鸣
The Role of AQ in the Regioselectivity of Strong Alkyl C-O Bond Activation Catalyzed by Pd(OAc)2: A Density Functional Theory Mechanistic Study[期刊论文]，Inorganic Chemistry，2021-12-06
44. DOI 刘翀,张林,李龙飞,雷鸣
Theoretical Design of a Catalyst with Both High Activity and Selectivity in C-H Borylation[期刊论文]，Journal of Organic Chemistry，2021-12-03
45. DOI 史福兴,李晓林,Bai, Yinna,李龙飞,蒲敏,刘力,雷鸣
Mechanism of the Zinc Dithiocarbamate-Activated Rubber Vulcanization Process: A Density Functional Theory Study[期刊论文]，ACS APPLIED POLYMER MATERIALS，2021-10-08
46. DOI 赵娅琦,张林,Li, Zhewei,蒲敏,雷鸣
Theoretical study on the mechanism of C-N and C-C coupling to form indole catalyzed by Pd(OAc)(2)[期刊论文]，MOLECULAR CATALYSIS，2021-10-01
47. DOI 赵娅琦,张林,蒲敏,雷鸣
A phosphine-free Mn(i)-NNS catalyst for asymmetric transfer hydrogenation of acetophenone: a theoretical prediction[期刊论文]，DALTON TRANSACTIONS，2021-09-14
48. DOI 王好好,张尉,刘阳秋,蒲敏,雷鸣
First-Principles Study on the Mechanism of Nitrobenzene Reduction to Aniline Catalyzed by a N-Doped Carbon-Supported Cobalt Single-Atom Catalyst[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-09
49. DOI 鄢红,杨屹,王涛,陆军,何静,陈咏梅,许家喜,白守礼,王志华,雷鸣
着力优化育人要素，全面促进应用化学一流本科专业建设[期刊论文]，大学化学.，2021-09-08
50. DOI Zhu, Ling,张林,杨作银,蒲敏,雷鸣
A theoretical study of the hydroboration of alpha,beta-unsaturated carbonyl compounds catalyzed by a metal-free complex and subsequent C-C coupling with acetonitrile[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-08-21
51. DOI 张培焕,张玉凤,Li, Zhewei,高阳,雷鸣,杨作银,蒲敏
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
52. DOI Ping, Yifan,王锐,王骞阅,Chang, Taiwei,Huo, Jingfeng,雷鸣,Wang, Jianbo
Synthesis of Alkenylboronates from N-Tosylhydrazones through Palladium-Catalyzed Carbene Migratory Insertion[期刊论文]，JOURNAL OF THE AMERICAN CHEMICAL SOCIETY，2021-07-07
53. DOI Xu, Xin,张林,Zhao, Haoqiang,Pan, Yixiao,Li, Jiajie,Luo, Zhenli,Han, Jiahong,徐立进,雷鸣
Cobalt(III)-Catalyzed Regioselective C6 Olefination of 2-Pyridones Using Alkynes: Olefination/Directing Group Migration and Olefination[期刊论文]，ORGANIC LETTERS，2021-06-18
54. DOI Xu, Xin,骆宸光,Zhao, Haoqiang,Pan, Yixiao,Zhang, Xin,Li, Jiajie,徐立进,雷鸣,Walsh, Patrick J.
Rhodium(III)-Catalyzed C-H Bond Functionalization of 2-Pyridones with Alkynes: Switchable Alkenylation, Alkenylation/Directing Group Migration and Rollover Annulation[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2021-06-16
55. DOI 陶玉婷,徐金江,Zhang, Haobin,Huang, Shiliang,杨作银,孙杰,雷鸣
An experimental and theoretical study on the growth of plate-like beta-HMX crystals in the hydroxylated interlayer space[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2021-06-07
56. DOI 陶玉婷,徐金江,Zhang, Haobin,杨作银,雷鸣,孙杰
Thermal Expansion Characteristic of a New Type High Energy Explosive ICM-101[期刊论文]，含能材料，2021-05-12
57. DOI 张林,蒲敏,雷鸣
Hydrogenation of CO2 to methanol catalyzed by a manganese pincer complex: insights into the mechanism and solvent effect[期刊论文]，DALTON TRANSACTIONS，2021-04-21
58. DOI 张林,Wang, Bin,赵娅琦,蒲敏,Liu, Shubin,雷鸣
Using Bases as Initiators to Isomerize Allylic Alcohols: Insights from Density Functional Theory Studies[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2021-03-25
59. DOI 王菊,雷鸣,Wang, Zhaoxu,Liu, Yusheng,Zhuang, Wenchang,Zhu, Wenyou
Methanol oxidation over rutile Au-1@TiO2 catalyst: Importance of facets and oxygen vacancy[期刊论文]，APPLIED SURFACE SCIENCE，2021-03-15
60. DOI Li, Zhe-wei,张林,蒲敏,雷鸣
Mechanistic Understanding of Base-Catalyzed Aldimine/Ketoamine Condensations: An Old Story and A New Model[期刊论文]，ASIAN JOURNAL OF ORGANIC CHEMISTRY，2021-03-01
61. DOI 白林涛,王明坤,张林,赵美君,任美,Zheng, Lirong,雷鸣,申鹤云
Poly(Amino Acid) Coordination Nanoparticle as a Potent Sonosensitizer for Cancer Therapy[期刊论文]，ACS Applied Bio Materials，2021-01-18
62. DOI 邹寅星,李哲伟,刘阳秋,雷鸣
重叠式乙烷构象是过渡态吗[期刊论文]，化学教育(中英文)，2021-01-18
63. DOI Ding, Ruiqin,Xu, Jinjiang,Tao, Yuting,Sun, Jie,雷鸣
Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2020-08-06
64. DOI Xiong, Wenfang,Shi, Fuxing,Cheng, Ruixiang,Zhu, Baiyao,Wang, Lu,Chen, Pengquan,Lou, Hongming,Wu, Wanqing,Qi, Chaorong,雷鸣,Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
65. DOI Hu Xiao-Min,Yu Yu-Tian,Chen Si-Yu,雷鸣,蒲敏,杨作银
Hydrogen Bond Cooperative Effect in Single Cage Water Clusters[期刊论文]，CHINESE JOURNAL OF STRUCTURAL CHEMISTRY，2020-07-16
66. DOI Wang, Kun,Zhang, Lin,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
67. DOI Wang, Kun,张林,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
68. DOI Liu, Yangqiu,Yue, Xin,Li, Longfei,Li, Zhewei,Zhang, Lin,蒲敏,杨作银,Wang, Chao,Xiao, Jianliang,雷鸣
Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation[期刊论文]，INORGANIC CHEMISTRY，2020-06-15
69. DOI 张尉,蒲敏,雷鸣
Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation[期刊论文]，LANGMUIR，2020-06-02
70. DOI Li Zhewei,Wang Qianyue,蒲敏,杨作银,雷鸣
Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation[期刊论文]，ACTA CHIMICA SINICA，2020-05-15
71. DOI 雷鸣,杨作银,李亚平,蒲敏
基于“1 + 2”模式的结构化学课程在线教学实践[期刊论文]，大学化学，2020-04-17
72. DOI Luo, Chenguang,Li, Longfei,Yue, Xin,Li, Pengjie,Zhang, Lin,杨作银,蒲敏,Cao, Zexing,雷鸣
pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(eta(6)-arene)RuCl(kappa(2)-N,N-dmobpy)](+) complex: a DFT mechanistic understanding[期刊论文]，RSC ADVANCES，2020-03-15
73. DOI Luo, Chenguang,Lu, Lin,Zhang, Lin,杨作银,蒲敏,Yin, Biaolin,雷鸣
Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study[期刊论文]，THEORETICAL CHEMISTRY ACCOUNTS，2020-03-01
74. DOI 胡晓敏,余雨田,陈思宇,雷鸣,蒲敏,杨作银
单笼形水分子簇中心水分子对类型关系[期刊论文]，分子科学学报，2020-02-27
75. DOI 刘晓亮,刘阳秋,雷鸣
结构化学课程中基于网络的点群演示教学平台PGLite的开发与实践[期刊论文]，大学化学.，2020-02-19
76. DOI Wang, Ju,张尉,Zhu, Wenyou,Zhuang, Wenchang,雷鸣
Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation[期刊论文]，MOLECULAR CATALYSIS，2020-02-01
77. DOI 丁瑞琴,陶玉婷,徐金江,孙杰,雷鸣
含能化合物CL-20及其共晶的结构及性能研究进展[期刊论文]，武汉大学学报(理学版)，2020-01-02
78. DOI Cao, Zheliang,张尉,Ding, Ruiqin,Wang, Ju,蒲敏,杨作银,雷鸣
The reaction paths of CH2O decomposition on CuO(111) surface: A DFT study[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2020-01-01
79. DOI 张林,张尉,岳鑫,李鹏杰,杨作银,蒲敏,雷鸣
锰配合物催化CO2加氢生成甲酸的理论研究[期刊论文]，高等学校化学学报，2019-09-10
80. DOI Yue, Xin,Li, Longfei,Li, Pengjie,Luo, Chenguang,蒲敏,杨作银,雷鸣
A Computational Study on Iridium-Catalyzed Production of Acetic Acid from Ethanol and Water Solution[期刊论文]，CHINESE JOURNAL OF CHEMISTRY，2019-09-01
81. DOI Wang, Qianyue,Li, Longfei,Li, Pengjie,Yue, Xin,杨作银,蒲敏,雷鸣
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
82. DOI Xiao, Miao,Yue, Xin,Xu, Ruirui,Tang, Weijun,Xue, Dong,Li, Chaoqun,雷鸣,Xiao, Jianliang,Wang, Chao
Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-07-29
83. DOI 徐庆红,李嘉梁,Teng, Xu,Yue, Xin,雷鸣,Ding, Caifeng,吕超
Rapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes[期刊论文]，CHEMICAL COMMUNICATIONS，2019-05-14
84. DOI 张尉,Ma, Xue-Lu,Xiao, Hai,雷鸣,雷鸣,Li, Jun
Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2019-05-09
85. DOI Lu, Lin,Luo, Chenguang,Peng, Hui,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Access to Polycyclic Sulfonyl Indolines via Fe(II)-Catalyzed or UV-Driven Formal [2+2+1] Cyclization Reactions of N-((1H-indol-3-yl)methyl)propiolamides with NaHSO3[期刊论文]，ORGANIC LETTERS，2019-04-19
86. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
87. DOI 余雨田,胡晓敏,雷鸣,杨作银
笼形水合簇中水分子对与氢键能的关系[期刊论文]，北京化工大学学报(自然科学版)，2018-11-20
88. DOI Li, Pengjie,Li, Longfei,Yue, Xin,Wang, Qianyue,蒲敏,杨作银,雷鸣
1,2 addition or cycloaddition of allenes by a dihafnium mu-Nitrido complex? A DFT study[期刊论文]，JOURNAL OF ORGANOMETALLIC CHEMISTRY，2018-11-01
89. DOI 马嘉苓,张慧,张欣,雷鸣
3D-QSAR Studies of D3R Antagonists and 5-HT1AR Agonists[期刊论文]，J. Mol. Graph. Model，2018-10-12
90. DOI Zhang, Pei-Huan,蒲敏,Gao, Yang,Zhang, Yu-Feng,雷鸣,杨作银
Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2018-10-04
91. DOI Li, Longfei,雷鸣,刘力,Xie, Yaoming,Schaefer, Henry F., III
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst[期刊论文]，INORGANIC CHEMISTRY，2018-08-06
92. DOI Li, Longfei,雷鸣,Xie, Yaoming,Weinhold, Frank,Schaefer, Henry F., III
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its AI, Ga, In, and TI Congeners1[期刊论文]，INORGANIC CHEMISTRY，2018-07-02
93. DOI Li, Pengjie,Xi, Yanxia,Li, Longfei,李慧,Sun, Wen-Hua,雷鸣
A DFT study on ring-opening polymerization of epsilon-caprolactone initiated by Mg and Al complexes[期刊论文]，INORGANICA CHIMICA ACTA，2018-05-24
94. DOI Wang, Chen-Xi,蒲敏,Zhang, Pei-Huan,Gao, Yang,杨作银,雷鸣
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
95. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki-Miyaura交叉偶联反应催化活性组分生成机理的理论研究1[期刊论文]，高等学校化学学报，2018-04-10
96. DOI Li, Longfei,Zhu, Huajie,刘力,Song, Datong,雷鸣
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
97. DOI Li, Zhe,雷鸣,陈娟,祁欣
An All-Solid-State Polymeric Membrane chloride ion-selective Electrode with Nanowires poly(3,4-ethylenedioxythiophene) as Solid Contact[期刊论文]，INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE，2017-12-01
98. DOI 雷鸣
加强国际合作,促进计算金属有机催化学科发展[期刊论文]，国际学术动态，2017-10-15
99. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane : Characteristic Features of Iron Species[期刊论文]，ORGANOMETALLICS，2017-09-25
100. DOI Li, Longfei,雷鸣,Xie, Yaoming,Schaefer, Henry F., III,Chen, Bo,Hoffmann, Roald
Stabilizing a different cyclooctatetraene stereoisomer[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2017-09-12
101. DOI 王海霞,王婉秦,蒲敏,雷鸣,王向东
翻转课堂模式在光度法测铁实验教学中的应用[期刊论文]，大学化学，2017-06-28
102. DOI 岳鑫,李慧,雷鸣
Ti碳氧化物催化氮氮裂解的密度泛函理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
103. DOI 李鹏杰,席艳霞,李慧,雷鸣
镁/铝格氏试剂催化ε-己内酯开环聚合的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
104. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki–Miyaura交叉偶联反应的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
105. DOI 李龙飞,雷鸣
金属-底物协同作用——Ru配合物催化氨基乙醇脱氢酰胺化反应的理论研究[会议论文]，第十三届全国量子化学会议报告集，2017-06-08
106. DOI 王晶,He, Lei,Nan, Feng,Wang, Fan,Li, Hongming,雷鸣,Li, Longfei,黄启谷,杨万泰
Investigation on terpolymer of ethylene/propylene/omega-bromo-alpha-olefins catalyzed by titanium complexes[期刊论文]，JOURNAL OF MATERIALS SCIENCE，2017-05-01
107. DOI Ma,Xuelu,雷鸣
Mechanistic Insights into the Directed Hydrogenation of Hydroxylated Alkene Catalyzed by Bis(phosphine)cobalt Dialkyl Complexes[期刊论文]，Journal of Organic Chemistry，2017-03-03
108. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species[期刊论文]，Organometallics，2017-01-01
109. DOI Xi, Yanxia,Rajendran, Natesan Mannangatti,Zhang, Wenjuan,Sun, Yang,雷鸣,Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
110. DOI 李辉,Ma, Xuelu,Zhang, Baohua,雷鸣
DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C-H Activation/Carbocyclization Catalyzed by Pd(OAc)(2)[期刊论文]，ORGANOMETALLICS，2016-10-10
111. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
112. DOI 李慧,雷鸣
Pd（OAc） 2 催化芳基联烯发生二聚反应的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
113. DOI 李龙飞,雷鸣
硼基钴与硼基镍化合物在烯烃氢化反应中的活性差别的机理研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
114. DOI 马雪璐,雷鸣,Paul J.Chirik,何静
廉价金属配合物催化氢化烯烃反应机理的理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
115. DOI 李龙飞,雷鸣
双膦双胺过渡金属钌催化剂催化不对称酮氢化的反应机理及三维构效模型研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
116. DOI 张益伟,雷鸣
Ti氮氧化物中C-N键生成和C-O键裂解机理的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
117. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
118. DOI Li,Longfei,Pan,Yuhui,雷鸣
The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: Insights from a 3D-QSSR and DFT study[期刊论文]，Catalysis Science and Technology，2016-01-01
119. DOI 段新丽,张欣,雷鸣
烟酰胺酶催化水解脱氨反应的QM/MM分子动力学模拟[期刊论文]，高等学校化学学报，2015-12-10
120. DOI 李龙飞,摆音娜,雷鸣,刘力
橡胶硫化促进剂的研究进展[期刊论文]，化学进展，2015-10-16
121. DOI Ma, Xuelu,雷鸣,Liu, Shubin
Homolytic or Heterolytic Dihydrogen Splitting with Ditantalum/Dizirconium Dinitrogen Complexes? A Computational Study[期刊论文]，ORGANOMETALLICS，2015-04-13
122. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
123. DOI 雷鸣,Pan, Yuhui,Ma, Xuelu
The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions[期刊论文]，EUROPEAN JOURNAL OF INORGANIC CHEMISTRY，2015-02-01
124. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
125. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
126. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Bent and planar structures of it mu-eta(2):eta(2)-N-2 dinuclear early transition metal complexes[期刊论文]，DALTON TRANSACTIONS，2014-08-14
127. DOI 马雪璐,唐艳辉,雷鸣
Bent and Planar Structures of μ-η 2 ,η 2 -N 2 Binuclear Early Transition-Metal Complexes[会议论文]，中国化学会第十二届全国量子化学会议论文摘要集，2014-06-12
128. DOI 赵丽君,雷鸣
甲状腺结合前清蛋白的理论研究[期刊论文]，化学进展，2013-12-25
129. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
130. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
131. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
132. DOI Zhao LiJun,Zhang LiangRen,雷鸣
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
133. DOI Ma Xuelu,雷鸣
Dinitrogen Fixation Activated by Binuclear Transition-Metal Complexes[期刊论文]，PROGRESS IN CHEMISTRY，2013-08-24
134. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
135. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
136. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
137. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
138. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01
139. DOI Feng, Xin-Tian,Yu, Jian-Guo,雷鸣,Fang, Wei-Hai,Liu, Shubin
Toward understanding metal-binding specificity of porphyrin: A conceptual density functional theory study[期刊论文]，Journal of Physical Chemistry B，2009-10-08
140. DOI Wang, Guilei,Chen, Yue,Zhong, Aiguo,杜洪光,雷鸣
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05
141. DOI Yang, Mingfeng,雷鸣,Yordanov, Boyan,Huo, Shuanghong
Peptide plane can flip in two opposite directions: Implication in amyloid formation of transthyretin[期刊论文]，Journal of Physical Chemistry B，2006-03-30

[+][-] 2024年

1. DOI Liu, Jingjiao,张娇娇,Sun, Min,Li, Hongming,雷鸣,黄启谷
Ethylene/Polar Monomer Copolymerization by [N, P] Ti Complexes: Polar Copolymers with Ultrahigh-Molecular Weight[期刊论文]，ACS OMEGA，2024-03-19
2. DOI 唐艳辉,蒲敏,雷鸣
Cyclopentadienone Diphosphine Ruthenium Complex: A Designed Catalyst for the Hydrogenation of Carbon Dioxide to Methanol[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2024-02-02
3. DOI Zhang, Lin,雷鸣,Cao, Zexing
Hydroboration Reduction of CO2 Catalyzed by a Doubly Reduced Arylborane: DFT Insight into Double Active-Site and CO2 Self-Promoting Single Active-Site Mechanisms and Counterion Effects[期刊论文]，ACS Catalysis，2023-12-19
4. DOI Yunfan Yue,Tian Ma,Yaqi Zhao,Xiaofan Shi,Yanhui Tang,蒲敏,雷鸣
The Theoretical Design of Manganese Catalysts with Si-N-Si-C-Si-C Six-membered Ring Core-based Bowl-shaped Quadridentate Ligand for the Hydrogenation of C=O/C=N Bonds[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-09-27
5. DOI Haohao Wang,Caiwei Yue,Jirui Du,蒲敏,雷鸣
First Principles Study on the Mechanism of Nitrobenzene Hydrogenation by a Ni1/CeO2-x(111) Single-Atom Catalyst[期刊论文]，Journal of Physical Chemistry C，2023-08-31
6. DOI Xiangling Luo,李哲伟,Yuzhen Zheng,Yueping Lin,Huangfeng Jiang,Lukas J. Goo？en,雷鸣,Liangbin Huang
Ligand-Enabled ortho-Arylation of (hetero)Aromatic Acids with 2,6-Disubstituted Aryl Halides[期刊论文]，ACS Catal.，2023-08-30
7. DOI Zhenli Luo,Zhewei Li,Haoqiang Zhao,Ji Yang,Lijin Xu,雷鸣,Qinghua Fan,Patrick J. Walsh
Borane-Catalyzed Tandem Cyclization/Hydrosilylation Towards Enantio- and Diastereoselective Construction of trans-2,3-Disubstituted-1,2,3,4-Tetrahydroquinoxalines[期刊论文]，Angewandte Chemie-International Edition，2023-08-07
8. DOI Chen, Ziqiang,Qi, Hexiang,王好好,岳彩巍,刘阳秋,杨作银,蒲敏,雷鸣
The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-07-19
9. DOI Yulan Dai,Zhewei Li,蒲敏,雷鸣
Understanding the Mechanism and Selectivity of 1,1-Diborylalkanes from Alkenes Catalyzed by Zirconium Complex[期刊论文]，INORGANIC CHEMISTRY，2023-07-10
10. DOI Ali, Qaim,李哲伟,张林,骆宸光,蒲敏,雷鸣
DFT Mechanistic Investigation on Manganese Pincer Complex Catalysed Cross-Coupling of Methanol with Benzyl Alcohol to Afford Methyl Benzoate[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2023-06-22
11. DOI 金登雨,Xu, Jinjiang,Zhang, Haobin,雷鸣,Sun, Jie
Comparative Study of Experiments and Calculations on the Guest Molecules' Escaping Mechanism of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2023-06-12
12. DOI 温静,Zhewei Li,Yanhui Tang,蒲敏,雷鸣
Mechanistic Insight of Amides Formation from Aryl Epoxides and Amines Catalyzed by Ruthenium Pincer Complexes: A DFT Study[期刊论文]，DALTON TRANSACTIONS，2023-05-19
13. DOI Bin Wang,荣春英,雷鸣,Shubin Liu,Frank De Proft
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex[期刊论文]，INORGANIC CHEMISTRY，2023-05-15
14. DOI 刘阳秋,祁鹤翔,雷鸣
Improved Elastic Image Pair Method for Finding Transition States[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2023-04-25
15. DOI 张培焕,Zhu, Yue,Li, Zhewei,王珞聪,岳彩巍,雷鸣,蒲敏
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
16. DOI Jiang, Kai,王好好,Xie, Yi,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Remote-Group-Assisted Facile Oxidative Arylation of Furans and Pyrroles[期刊论文]，ACS Catalysis，2023-03-17
17. DOI 戴玉兰,Yuan, Binfang,李哲伟,张林,李龙飞,蒲敏,雷鸣
Density Functional Theory Study on the H2-Acceptorless Dehydrogenative Boration of Alkenes Catalyzed by a Zirconium Complex[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-12-16
18. DOI 马雪璐,李蒙,雷鸣
三核过渡金属配合物在催化反应中的研究进展[期刊论文]，化学学报，2022-12-06
19. DOI Ali, Qaim,陈永勇,张瑞雪,李哲伟,唐艳辉,蒲敏,雷鸣
The Origin of Stereoselectivity in the Hydrogenation of Oximes Catalyzed by Iridium Complexes: A DFT Mechanistic Study[期刊论文]，MOLECULES，2022-11-30
20. DOI 岳彩巍,王珞聪,王好好,杜吉瑞,雷鸣,蒲敏
First-Principles Study on the Electrocatalytic Oxygen Evolution Reaction on the (110) Surfaces of Layered Double Hydroxides[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2022-11-03
21. DOI 刘雪慧,王好好,李伟丹,陈佳雯,房嘉琪,Yan, Xiaoying,Mi, Shuo,洪崧,雷鸣,殷雄,Bai, Lu,Guo, Yanjun,Xu, Rui,Cheng, Zhihai,汪乐余
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
22. DOI Zhu, Baiyao,李哲伟,Chen, Fulin,Xiong, Wenfang,Tan, Xiaobin,雷鸣,Wu, Wanqing,Jiang, Huanfeng
Palladium-catalyzed oxidative Heck reaction of non-activated alkenes directed by fluorinated alcohol[期刊论文]，Chemical Communications，2022-10-20
23. DOI Lulu Zhang,Caiwei Yue,Lin Zhang,Peihuan Zhang,Luocong Wang,雷鸣,蒲敏
A DFT Study on the Isomerization Mechanism of Azobenzene Derivatives on Silicon Substrate[期刊论文]，New Journal of Chemistry，2022-10-19
24. DOI Li, Meng,张瑞雪,Gao, Qiushan,Jiang, Huanfeng,雷鸣,Wu, Wanqing
Divergent Synthesis of Fused Tetracyclic Heterocycles from Diarylalkynes Enabled by the Selective Insertion of Isocyanide[期刊论文]，Angewandte Chemie - International Edition，2022-10-17
25. DOI 张培焕,李哲伟,刘阳秋,史福兴,王珞聪,蒲敏,雷鸣
Hydride Relay Exchange Mechanism for the Heterocyclic C-H Arylation of Benzofuran and Benzothiophene Catalyzed by Pd Complexes[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-10-07
26. DOI Ding, Yangming,Guo, Tenglong,李哲伟,Zhang, Bo,Kühn, Fritz E.,Liu, Chang,Zhang, Jian,Xu, Dezhu,雷鸣,Zhang, Tao,Li, Changzhi
Transition-Metal-Free Synthesis of Functionalized Quinolines by Direct Conversion of β-O-4 Model Compounds[期刊论文]，Angewandte Chemie-International Edition，2022-09-19
27. DOI 王好好,史福兴,蒲敏,雷鸣
Theoretical Study on Nitrobenzene Hydrogenation by N-Doped Carbon-Supported Late Transition Metal Single-Atom Catalysts[期刊论文]，ACS Catalysis，2022-09-16
28. DOI 刘新原,史福兴,金超超,Liu, Binbin,雷鸣,谭嘉靖
Stereospecific synthesis of monofluoroalkenes and their deuterated analogues via Ag-catalyzed decarboxylation[期刊论文]，Journal of Catalysis，2022-09-01
29. DOI 史福兴,Ren, Xiaochuan,王好好,蒲敏,刘力,雷鸣
Neutral Phosphine-Sulfonate Pd Complex-Catalyzed Copolymerization of 2-Methoxystyrene and Ethylene Polar Monomers: A DFT Mechanistic Study[期刊论文]，ACS Applied Polymer Materials，2022-08-12
30. DOI 刘阳秋,祁鹤翔,雷鸣
Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2022-08-09
31. DOI 李哲伟,张会丽,谭天伟,雷鸣
The mechanism of direct reductive amination of aldehyde and amine with formic acid catalyzed by boron trifluoride complexes: insights from a DFT study[期刊论文]，Catalysis Science and Technology，2022-08-02
32. DOI 盛晨曦,李哲伟,蒲敏,雷鸣
Theoretical study on the mechanism of the benzaldehyde deoxyfluorination by sulfuryl fluoride and tetramethylammonium fluoride[期刊论文]，Journal of Physical Organic Chemistry，2022-08-01
33. DOI 付宏远,姚嘉,张铭,薛灵伟,周秋菊,李尚宇,雷鸣,孟磊,张志国,李永舫
Low-cost synthesis of small molecule acceptors makes polymer solar cells commercially viable[期刊论文]，Nature Communications，2022-06-27
34. DOI 祁鹤翔,刘阳秋,蒲敏,杨作银,李亚平,雷鸣
分子点群虚拟仿真实验的建设与实践[期刊论文]，化学教育(中英文)，2022-06-18
35. DOI Zhang, Bo,Guo, Tenglong,李哲伟,Kuhn, Fritz E.,雷鸣,Zhao, Zongbao K.,Xiao, Jianliang,Zhang, Jian,Xu, Dezhu,Zhang, Tao,Li, Changzhi
Transition-metal-free synthesis of pyrimidines from lignin beta-O-4 segments via a one-pot multi-component reaction[期刊论文]，NATURE COMMUNICATIONS，2022-06-11
36. DOI 周颖,赵娅琦,史晓帆,唐艳辉,杨作银,蒲敏,雷鸣
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
37. DOI 赵娅琦,张林,唐艳辉,蒲敏,雷鸣
A theoretical study of asymmetric ketone hydrogenation catalyzed by Mn complexes: from the catalytic mechanism to the catalyst design[期刊论文]，Physical Chemistry Chemical Physics，2022-05-09
38. DOI 雷鸣,陈星钰,王英杰,张丽然,朱红,王智谦
Homogeneous and Heterogeneous Pd-Catalyzed Selective C-PActivation and Transfer Hydrogenation for?Group-Substitution?Synthesis of Trivalent Phosphines[期刊论文]，ORGANIC LETTERS，2022-04-22
39. DOI 王珞聪,李哲伟,岳彩巍,张培焕,雷鸣,蒲敏
电场下偶氮苯衍生物分子顺反异构化反应机理的理论研究[期刊论文]，化学学报，2022-04-12
40. DOI 张林,赵娅琦,刘翀,蒲敏,雷鸣,曹泽星
Hydroboration of CO2to Methyl Boronate Catalyzed by a Manganese Pincer Complex: Insights into the Reaction Mechanism and Ligand Effect[期刊论文]，Inorganic Chemistry，2022-04-11
41. DOI 祁鹤翔,王智鹏,彭鼎,韩丰泽,刘阳秋,蒲敏,杨作银,李亚平,安赛,雷鸣
分子点群的判别[期刊论文]，大学化学.，2022-03-16
42. DOI Quan, Zhuo,Mao, Li,Tang, Yi-Qi,雷鸣,Zhu, Ben-Zhan,Liu, Ya-Jun
Mechanistic Investigation of H2O2-dependent Chemiluminescence from Tetrabromo-1,4-Benzoquinone[期刊论文]，CHEMPHYSCHEM，2022-03-04
43. DOI 王锐,刘阳秋,王骞阅,张林,李哲伟,蒲敏,雷鸣
The Role of AQ in the Regioselectivity of Strong Alkyl C-O Bond Activation Catalyzed by Pd(OAc)2: A Density Functional Theory Mechanistic Study[期刊论文]，Inorganic Chemistry，2021-12-06
44. DOI 刘翀,张林,李龙飞,雷鸣
Theoretical Design of a Catalyst with Both High Activity and Selectivity in C-H Borylation[期刊论文]，Journal of Organic Chemistry，2021-12-03
45. DOI 史福兴,李晓林,Bai, Yinna,李龙飞,蒲敏,刘力,雷鸣
Mechanism of the Zinc Dithiocarbamate-Activated Rubber Vulcanization Process: A Density Functional Theory Study[期刊论文]，ACS APPLIED POLYMER MATERIALS，2021-10-08
46. DOI 赵娅琦,张林,Li, Zhewei,蒲敏,雷鸣
Theoretical study on the mechanism of C-N and C-C coupling to form indole catalyzed by Pd(OAc)(2)[期刊论文]，MOLECULAR CATALYSIS，2021-10-01
47. DOI 赵娅琦,张林,蒲敏,雷鸣
A phosphine-free Mn(i)-NNS catalyst for asymmetric transfer hydrogenation of acetophenone: a theoretical prediction[期刊论文]，DALTON TRANSACTIONS，2021-09-14
48. DOI 王好好,张尉,刘阳秋,蒲敏,雷鸣
First-Principles Study on the Mechanism of Nitrobenzene Reduction to Aniline Catalyzed by a N-Doped Carbon-Supported Cobalt Single-Atom Catalyst[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-09
49. DOI 鄢红,杨屹,王涛,陆军,何静,陈咏梅,许家喜,白守礼,王志华,雷鸣
着力优化育人要素，全面促进应用化学一流本科专业建设[期刊论文]，大学化学.，2021-09-08
50. DOI Zhu, Ling,张林,杨作银,蒲敏,雷鸣
A theoretical study of the hydroboration of alpha,beta-unsaturated carbonyl compounds catalyzed by a metal-free complex and subsequent C-C coupling with acetonitrile[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-08-21
51. DOI 张培焕,张玉凤,Li, Zhewei,高阳,雷鸣,杨作银,蒲敏
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
52. DOI Ping, Yifan,王锐,王骞阅,Chang, Taiwei,Huo, Jingfeng,雷鸣,Wang, Jianbo
Synthesis of Alkenylboronates from N-Tosylhydrazones through Palladium-Catalyzed Carbene Migratory Insertion[期刊论文]，JOURNAL OF THE AMERICAN CHEMICAL SOCIETY，2021-07-07
53. DOI Xu, Xin,张林,Zhao, Haoqiang,Pan, Yixiao,Li, Jiajie,Luo, Zhenli,Han, Jiahong,徐立进,雷鸣
Cobalt(III)-Catalyzed Regioselective C6 Olefination of 2-Pyridones Using Alkynes: Olefination/Directing Group Migration and Olefination[期刊论文]，ORGANIC LETTERS，2021-06-18
54. DOI Xu, Xin,骆宸光,Zhao, Haoqiang,Pan, Yixiao,Zhang, Xin,Li, Jiajie,徐立进,雷鸣,Walsh, Patrick J.
Rhodium(III)-Catalyzed C-H Bond Functionalization of 2-Pyridones with Alkynes: Switchable Alkenylation, Alkenylation/Directing Group Migration and Rollover Annulation[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2021-06-16
55. DOI 陶玉婷,徐金江,Zhang, Haobin,Huang, Shiliang,杨作银,孙杰,雷鸣
An experimental and theoretical study on the growth of plate-like beta-HMX crystals in the hydroxylated interlayer space[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2021-06-07
56. DOI 陶玉婷,徐金江,Zhang, Haobin,杨作银,雷鸣,孙杰
Thermal Expansion Characteristic of a New Type High Energy Explosive ICM-101[期刊论文]，含能材料，2021-05-12
57. DOI 张林,蒲敏,雷鸣
Hydrogenation of CO2 to methanol catalyzed by a manganese pincer complex: insights into the mechanism and solvent effect[期刊论文]，DALTON TRANSACTIONS，2021-04-21
58. DOI 张林,Wang, Bin,赵娅琦,蒲敏,Liu, Shubin,雷鸣
Using Bases as Initiators to Isomerize Allylic Alcohols: Insights from Density Functional Theory Studies[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2021-03-25
59. DOI 王菊,雷鸣,Wang, Zhaoxu,Liu, Yusheng,Zhuang, Wenchang,Zhu, Wenyou
Methanol oxidation over rutile Au-1@TiO2 catalyst: Importance of facets and oxygen vacancy[期刊论文]，APPLIED SURFACE SCIENCE，2021-03-15
60. DOI Li, Zhe-wei,张林,蒲敏,雷鸣
Mechanistic Understanding of Base-Catalyzed Aldimine/Ketoamine Condensations: An Old Story and A New Model[期刊论文]，ASIAN JOURNAL OF ORGANIC CHEMISTRY，2021-03-01
61. DOI 白林涛,王明坤,张林,赵美君,任美,Zheng, Lirong,雷鸣,申鹤云
Poly(Amino Acid) Coordination Nanoparticle as a Potent Sonosensitizer for Cancer Therapy[期刊论文]，ACS Applied Bio Materials，2021-01-18
62. DOI 邹寅星,李哲伟,刘阳秋,雷鸣
重叠式乙烷构象是过渡态吗[期刊论文]，化学教育(中英文)，2021-01-18
63. DOI Ding, Ruiqin,Xu, Jinjiang,Tao, Yuting,Sun, Jie,雷鸣
Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2020-08-06
64. DOI Xiong, Wenfang,Shi, Fuxing,Cheng, Ruixiang,Zhu, Baiyao,Wang, Lu,Chen, Pengquan,Lou, Hongming,Wu, Wanqing,Qi, Chaorong,雷鸣,Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
65. DOI Hu Xiao-Min,Yu Yu-Tian,Chen Si-Yu,雷鸣,蒲敏,杨作银
Hydrogen Bond Cooperative Effect in Single Cage Water Clusters[期刊论文]，CHINESE JOURNAL OF STRUCTURAL CHEMISTRY，2020-07-16
66. DOI Wang, Kun,Zhang, Lin,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
67. DOI Wang, Kun,张林,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
68. DOI Liu, Yangqiu,Yue, Xin,Li, Longfei,Li, Zhewei,Zhang, Lin,蒲敏,杨作银,Wang, Chao,Xiao, Jianliang,雷鸣
Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation[期刊论文]，INORGANIC CHEMISTRY，2020-06-15
69. DOI 张尉,蒲敏,雷鸣
Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation[期刊论文]，LANGMUIR，2020-06-02
70. DOI Li Zhewei,Wang Qianyue,蒲敏,杨作银,雷鸣
Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation[期刊论文]，ACTA CHIMICA SINICA，2020-05-15
71. DOI 雷鸣,杨作银,李亚平,蒲敏
基于“1 + 2”模式的结构化学课程在线教学实践[期刊论文]，大学化学，2020-04-17
72. DOI Luo, Chenguang,Li, Longfei,Yue, Xin,Li, Pengjie,Zhang, Lin,杨作银,蒲敏,Cao, Zexing,雷鸣
pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(eta(6)-arene)RuCl(kappa(2)-N,N-dmobpy)](+) complex: a DFT mechanistic understanding[期刊论文]，RSC ADVANCES，2020-03-15
73. DOI Luo, Chenguang,Lu, Lin,Zhang, Lin,杨作银,蒲敏,Yin, Biaolin,雷鸣
Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study[期刊论文]，THEORETICAL CHEMISTRY ACCOUNTS，2020-03-01
74. DOI 胡晓敏,余雨田,陈思宇,雷鸣,蒲敏,杨作银
单笼形水分子簇中心水分子对类型关系[期刊论文]，分子科学学报，2020-02-27
75. DOI 刘晓亮,刘阳秋,雷鸣
结构化学课程中基于网络的点群演示教学平台PGLite的开发与实践[期刊论文]，大学化学.，2020-02-19
76. DOI Wang, Ju,张尉,Zhu, Wenyou,Zhuang, Wenchang,雷鸣
Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation[期刊论文]，MOLECULAR CATALYSIS，2020-02-01
77. DOI 丁瑞琴,陶玉婷,徐金江,孙杰,雷鸣
含能化合物CL-20及其共晶的结构及性能研究进展[期刊论文]，武汉大学学报(理学版)，2020-01-02
78. DOI Cao, Zheliang,张尉,Ding, Ruiqin,Wang, Ju,蒲敏,杨作银,雷鸣
The reaction paths of CH2O decomposition on CuO(111) surface: A DFT study[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2020-01-01
79. DOI 张林,张尉,岳鑫,李鹏杰,杨作银,蒲敏,雷鸣
锰配合物催化CO2加氢生成甲酸的理论研究[期刊论文]，高等学校化学学报，2019-09-10
80. DOI Yue, Xin,Li, Longfei,Li, Pengjie,Luo, Chenguang,蒲敏,杨作银,雷鸣
A Computational Study on Iridium-Catalyzed Production of Acetic Acid from Ethanol and Water Solution[期刊论文]，CHINESE JOURNAL OF CHEMISTRY，2019-09-01
81. DOI Wang, Qianyue,Li, Longfei,Li, Pengjie,Yue, Xin,杨作银,蒲敏,雷鸣
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
82. DOI Xiao, Miao,Yue, Xin,Xu, Ruirui,Tang, Weijun,Xue, Dong,Li, Chaoqun,雷鸣,Xiao, Jianliang,Wang, Chao
Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-07-29
83. DOI 徐庆红,李嘉梁,Teng, Xu,Yue, Xin,雷鸣,Ding, Caifeng,吕超
Rapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes[期刊论文]，CHEMICAL COMMUNICATIONS，2019-05-14
84. DOI 张尉,Ma, Xue-Lu,Xiao, Hai,雷鸣,雷鸣,Li, Jun
Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2019-05-09
85. DOI Lu, Lin,Luo, Chenguang,Peng, Hui,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Access to Polycyclic Sulfonyl Indolines via Fe(II)-Catalyzed or UV-Driven Formal [2+2+1] Cyclization Reactions of N-((1H-indol-3-yl)methyl)propiolamides with NaHSO3[期刊论文]，ORGANIC LETTERS，2019-04-19
86. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
87. DOI 余雨田,胡晓敏,雷鸣,杨作银
笼形水合簇中水分子对与氢键能的关系[期刊论文]，北京化工大学学报(自然科学版)，2018-11-20
88. DOI Li, Pengjie,Li, Longfei,Yue, Xin,Wang, Qianyue,蒲敏,杨作银,雷鸣
1,2 addition or cycloaddition of allenes by a dihafnium mu-Nitrido complex? A DFT study[期刊论文]，JOURNAL OF ORGANOMETALLIC CHEMISTRY，2018-11-01
89. DOI 马嘉苓,张慧,张欣,雷鸣
3D-QSAR Studies of D3R Antagonists and 5-HT1AR Agonists[期刊论文]，J. Mol. Graph. Model，2018-10-12
90. DOI Zhang, Pei-Huan,蒲敏,Gao, Yang,Zhang, Yu-Feng,雷鸣,杨作银
Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2018-10-04
91. DOI Li, Longfei,雷鸣,刘力,Xie, Yaoming,Schaefer, Henry F., III
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst[期刊论文]，INORGANIC CHEMISTRY，2018-08-06
92. DOI Li, Longfei,雷鸣,Xie, Yaoming,Weinhold, Frank,Schaefer, Henry F., III
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its AI, Ga, In, and TI Congeners1[期刊论文]，INORGANIC CHEMISTRY，2018-07-02
93. DOI Li, Pengjie,Xi, Yanxia,Li, Longfei,李慧,Sun, Wen-Hua,雷鸣
A DFT study on ring-opening polymerization of epsilon-caprolactone initiated by Mg and Al complexes[期刊论文]，INORGANICA CHIMICA ACTA，2018-05-24
94. DOI Wang, Chen-Xi,蒲敏,Zhang, Pei-Huan,Gao, Yang,杨作银,雷鸣
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
95. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki-Miyaura交叉偶联反应催化活性组分生成机理的理论研究1[期刊论文]，高等学校化学学报，2018-04-10
96. DOI Li, Longfei,Zhu, Huajie,刘力,Song, Datong,雷鸣
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
97. DOI Li, Zhe,雷鸣,陈娟,祁欣
An All-Solid-State Polymeric Membrane chloride ion-selective Electrode with Nanowires poly(3,4-ethylenedioxythiophene) as Solid Contact[期刊论文]，INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE，2017-12-01
98. DOI 雷鸣
加强国际合作,促进计算金属有机催化学科发展[期刊论文]，国际学术动态，2017-10-15
99. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane : Characteristic Features of Iron Species[期刊论文]，ORGANOMETALLICS，2017-09-25
100. DOI Li, Longfei,雷鸣,Xie, Yaoming,Schaefer, Henry F., III,Chen, Bo,Hoffmann, Roald
Stabilizing a different cyclooctatetraene stereoisomer[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2017-09-12
101. DOI 王海霞,王婉秦,蒲敏,雷鸣,王向东
翻转课堂模式在光度法测铁实验教学中的应用[期刊论文]，大学化学，2017-06-28
102. DOI 岳鑫,李慧,雷鸣
Ti碳氧化物催化氮氮裂解的密度泛函理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
103. DOI 李鹏杰,席艳霞,李慧,雷鸣
镁/铝格氏试剂催化ε-己内酯开环聚合的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
104. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki–Miyaura交叉偶联反应的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
105. DOI 李龙飞,雷鸣
金属-底物协同作用——Ru配合物催化氨基乙醇脱氢酰胺化反应的理论研究[会议论文]，第十三届全国量子化学会议报告集，2017-06-08
106. DOI 王晶,He, Lei,Nan, Feng,Wang, Fan,Li, Hongming,雷鸣,Li, Longfei,黄启谷,杨万泰
Investigation on terpolymer of ethylene/propylene/omega-bromo-alpha-olefins catalyzed by titanium complexes[期刊论文]，JOURNAL OF MATERIALS SCIENCE，2017-05-01
107. DOI Ma,Xuelu,雷鸣
Mechanistic Insights into the Directed Hydrogenation of Hydroxylated Alkene Catalyzed by Bis(phosphine)cobalt Dialkyl Complexes[期刊论文]，Journal of Organic Chemistry，2017-03-03
108. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species[期刊论文]，Organometallics，2017-01-01
109. DOI Xi, Yanxia,Rajendran, Natesan Mannangatti,Zhang, Wenjuan,Sun, Yang,雷鸣,Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
110. DOI 李辉,Ma, Xuelu,Zhang, Baohua,雷鸣
DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C-H Activation/Carbocyclization Catalyzed by Pd(OAc)(2)[期刊论文]，ORGANOMETALLICS，2016-10-10
111. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
112. DOI 李慧,雷鸣
Pd（OAc） 2 催化芳基联烯发生二聚反应的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
113. DOI 李龙飞,雷鸣
硼基钴与硼基镍化合物在烯烃氢化反应中的活性差别的机理研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
114. DOI 马雪璐,雷鸣,Paul J.Chirik,何静
廉价金属配合物催化氢化烯烃反应机理的理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
115. DOI 李龙飞,雷鸣
双膦双胺过渡金属钌催化剂催化不对称酮氢化的反应机理及三维构效模型研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
116. DOI 张益伟,雷鸣
Ti氮氧化物中C-N键生成和C-O键裂解机理的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
117. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
118. DOI Li,Longfei,Pan,Yuhui,雷鸣
The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: Insights from a 3D-QSSR and DFT study[期刊论文]，Catalysis Science and Technology，2016-01-01
119. DOI 段新丽,张欣,雷鸣
烟酰胺酶催化水解脱氨反应的QM/MM分子动力学模拟[期刊论文]，高等学校化学学报，2015-12-10
120. DOI 李龙飞,摆音娜,雷鸣,刘力
橡胶硫化促进剂的研究进展[期刊论文]，化学进展，2015-10-16
121. DOI Ma, Xuelu,雷鸣,Liu, Shubin
Homolytic or Heterolytic Dihydrogen Splitting with Ditantalum/Dizirconium Dinitrogen Complexes? A Computational Study[期刊论文]，ORGANOMETALLICS，2015-04-13
122. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
123. DOI 雷鸣,Pan, Yuhui,Ma, Xuelu
The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions[期刊论文]，EUROPEAN JOURNAL OF INORGANIC CHEMISTRY，2015-02-01
124. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
125. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
126. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Bent and planar structures of it mu-eta(2):eta(2)-N-2 dinuclear early transition metal complexes[期刊论文]，DALTON TRANSACTIONS，2014-08-14
127. DOI 马雪璐,唐艳辉,雷鸣
Bent and Planar Structures of μ-η 2 ,η 2 -N 2 Binuclear Early Transition-Metal Complexes[会议论文]，中国化学会第十二届全国量子化学会议论文摘要集，2014-06-12
128. DOI 赵丽君,雷鸣
甲状腺结合前清蛋白的理论研究[期刊论文]，化学进展，2013-12-25
129. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
130. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
131. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
132. DOI Zhao LiJun,Zhang LiangRen,雷鸣
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
133. DOI Ma Xuelu,雷鸣
Dinitrogen Fixation Activated by Binuclear Transition-Metal Complexes[期刊论文]，PROGRESS IN CHEMISTRY，2013-08-24
134. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
135. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
136. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
137. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
138. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01
139. DOI Feng, Xin-Tian,Yu, Jian-Guo,雷鸣,Fang, Wei-Hai,Liu, Shubin
Toward understanding metal-binding specificity of porphyrin: A conceptual density functional theory study[期刊论文]，Journal of Physical Chemistry B，2009-10-08
140. DOI Wang, Guilei,Chen, Yue,Zhong, Aiguo,杜洪光,雷鸣
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05
141. DOI Yang, Mingfeng,雷鸣,Yordanov, Boyan,Huo, Shuanghong
Peptide plane can flip in two opposite directions: Implication in amyloid formation of transthyretin[期刊论文]，Journal of Physical Chemistry B，2006-03-30

[+][-] 2023年

1. DOI Liu, Jingjiao,张娇娇,Sun, Min,Li, Hongming,雷鸣,黄启谷
Ethylene/Polar Monomer Copolymerization by [N, P] Ti Complexes: Polar Copolymers with Ultrahigh-Molecular Weight[期刊论文]，ACS OMEGA，2024-03-19
2. DOI 唐艳辉,蒲敏,雷鸣
Cyclopentadienone Diphosphine Ruthenium Complex: A Designed Catalyst for the Hydrogenation of Carbon Dioxide to Methanol[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2024-02-02
3. DOI Zhang, Lin,雷鸣,Cao, Zexing
Hydroboration Reduction of CO2 Catalyzed by a Doubly Reduced Arylborane: DFT Insight into Double Active-Site and CO2 Self-Promoting Single Active-Site Mechanisms and Counterion Effects[期刊论文]，ACS Catalysis，2023-12-19
4. DOI Yunfan Yue,Tian Ma,Yaqi Zhao,Xiaofan Shi,Yanhui Tang,蒲敏,雷鸣
The Theoretical Design of Manganese Catalysts with Si-N-Si-C-Si-C Six-membered Ring Core-based Bowl-shaped Quadridentate Ligand for the Hydrogenation of C=O/C=N Bonds[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-09-27
5. DOI Haohao Wang,Caiwei Yue,Jirui Du,蒲敏,雷鸣
First Principles Study on the Mechanism of Nitrobenzene Hydrogenation by a Ni1/CeO2-x(111) Single-Atom Catalyst[期刊论文]，Journal of Physical Chemistry C，2023-08-31
6. DOI Xiangling Luo,李哲伟,Yuzhen Zheng,Yueping Lin,Huangfeng Jiang,Lukas J. Goo？en,雷鸣,Liangbin Huang
Ligand-Enabled ortho-Arylation of (hetero)Aromatic Acids with 2,6-Disubstituted Aryl Halides[期刊论文]，ACS Catal.，2023-08-30
7. DOI Zhenli Luo,Zhewei Li,Haoqiang Zhao,Ji Yang,Lijin Xu,雷鸣,Qinghua Fan,Patrick J. Walsh
Borane-Catalyzed Tandem Cyclization/Hydrosilylation Towards Enantio- and Diastereoselective Construction of trans-2,3-Disubstituted-1,2,3,4-Tetrahydroquinoxalines[期刊论文]，Angewandte Chemie-International Edition，2023-08-07
8. DOI Chen, Ziqiang,Qi, Hexiang,王好好,岳彩巍,刘阳秋,杨作银,蒲敏,雷鸣
The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-07-19
9. DOI Yulan Dai,Zhewei Li,蒲敏,雷鸣
Understanding the Mechanism and Selectivity of 1,1-Diborylalkanes from Alkenes Catalyzed by Zirconium Complex[期刊论文]，INORGANIC CHEMISTRY，2023-07-10
10. DOI Ali, Qaim,李哲伟,张林,骆宸光,蒲敏,雷鸣
DFT Mechanistic Investigation on Manganese Pincer Complex Catalysed Cross-Coupling of Methanol with Benzyl Alcohol to Afford Methyl Benzoate[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2023-06-22
11. DOI 金登雨,Xu, Jinjiang,Zhang, Haobin,雷鸣,Sun, Jie
Comparative Study of Experiments and Calculations on the Guest Molecules' Escaping Mechanism of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2023-06-12
12. DOI 温静,Zhewei Li,Yanhui Tang,蒲敏,雷鸣
Mechanistic Insight of Amides Formation from Aryl Epoxides and Amines Catalyzed by Ruthenium Pincer Complexes: A DFT Study[期刊论文]，DALTON TRANSACTIONS，2023-05-19
13. DOI Bin Wang,荣春英,雷鸣,Shubin Liu,Frank De Proft
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex[期刊论文]，INORGANIC CHEMISTRY，2023-05-15
14. DOI 刘阳秋,祁鹤翔,雷鸣
Improved Elastic Image Pair Method for Finding Transition States[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2023-04-25
15. DOI 张培焕,Zhu, Yue,Li, Zhewei,王珞聪,岳彩巍,雷鸣,蒲敏
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
16. DOI Jiang, Kai,王好好,Xie, Yi,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Remote-Group-Assisted Facile Oxidative Arylation of Furans and Pyrroles[期刊论文]，ACS Catalysis，2023-03-17
17. DOI 戴玉兰,Yuan, Binfang,李哲伟,张林,李龙飞,蒲敏,雷鸣
Density Functional Theory Study on the H2-Acceptorless Dehydrogenative Boration of Alkenes Catalyzed by a Zirconium Complex[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-12-16
18. DOI 马雪璐,李蒙,雷鸣
三核过渡金属配合物在催化反应中的研究进展[期刊论文]，化学学报，2022-12-06
19. DOI Ali, Qaim,陈永勇,张瑞雪,李哲伟,唐艳辉,蒲敏,雷鸣
The Origin of Stereoselectivity in the Hydrogenation of Oximes Catalyzed by Iridium Complexes: A DFT Mechanistic Study[期刊论文]，MOLECULES，2022-11-30
20. DOI 岳彩巍,王珞聪,王好好,杜吉瑞,雷鸣,蒲敏
First-Principles Study on the Electrocatalytic Oxygen Evolution Reaction on the (110) Surfaces of Layered Double Hydroxides[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2022-11-03
21. DOI 刘雪慧,王好好,李伟丹,陈佳雯,房嘉琪,Yan, Xiaoying,Mi, Shuo,洪崧,雷鸣,殷雄,Bai, Lu,Guo, Yanjun,Xu, Rui,Cheng, Zhihai,汪乐余
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
22. DOI Zhu, Baiyao,李哲伟,Chen, Fulin,Xiong, Wenfang,Tan, Xiaobin,雷鸣,Wu, Wanqing,Jiang, Huanfeng
Palladium-catalyzed oxidative Heck reaction of non-activated alkenes directed by fluorinated alcohol[期刊论文]，Chemical Communications，2022-10-20
23. DOI Lulu Zhang,Caiwei Yue,Lin Zhang,Peihuan Zhang,Luocong Wang,雷鸣,蒲敏
A DFT Study on the Isomerization Mechanism of Azobenzene Derivatives on Silicon Substrate[期刊论文]，New Journal of Chemistry，2022-10-19
24. DOI Li, Meng,张瑞雪,Gao, Qiushan,Jiang, Huanfeng,雷鸣,Wu, Wanqing
Divergent Synthesis of Fused Tetracyclic Heterocycles from Diarylalkynes Enabled by the Selective Insertion of Isocyanide[期刊论文]，Angewandte Chemie - International Edition，2022-10-17
25. DOI 张培焕,李哲伟,刘阳秋,史福兴,王珞聪,蒲敏,雷鸣
Hydride Relay Exchange Mechanism for the Heterocyclic C-H Arylation of Benzofuran and Benzothiophene Catalyzed by Pd Complexes[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-10-07
26. DOI Ding, Yangming,Guo, Tenglong,李哲伟,Zhang, Bo,Kühn, Fritz E.,Liu, Chang,Zhang, Jian,Xu, Dezhu,雷鸣,Zhang, Tao,Li, Changzhi
Transition-Metal-Free Synthesis of Functionalized Quinolines by Direct Conversion of β-O-4 Model Compounds[期刊论文]，Angewandte Chemie-International Edition，2022-09-19
27. DOI 王好好,史福兴,蒲敏,雷鸣
Theoretical Study on Nitrobenzene Hydrogenation by N-Doped Carbon-Supported Late Transition Metal Single-Atom Catalysts[期刊论文]，ACS Catalysis，2022-09-16
28. DOI 刘新原,史福兴,金超超,Liu, Binbin,雷鸣,谭嘉靖
Stereospecific synthesis of monofluoroalkenes and their deuterated analogues via Ag-catalyzed decarboxylation[期刊论文]，Journal of Catalysis，2022-09-01
29. DOI 史福兴,Ren, Xiaochuan,王好好,蒲敏,刘力,雷鸣
Neutral Phosphine-Sulfonate Pd Complex-Catalyzed Copolymerization of 2-Methoxystyrene and Ethylene Polar Monomers: A DFT Mechanistic Study[期刊论文]，ACS Applied Polymer Materials，2022-08-12
30. DOI 刘阳秋,祁鹤翔,雷鸣
Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2022-08-09
31. DOI 李哲伟,张会丽,谭天伟,雷鸣
The mechanism of direct reductive amination of aldehyde and amine with formic acid catalyzed by boron trifluoride complexes: insights from a DFT study[期刊论文]，Catalysis Science and Technology，2022-08-02
32. DOI 盛晨曦,李哲伟,蒲敏,雷鸣
Theoretical study on the mechanism of the benzaldehyde deoxyfluorination by sulfuryl fluoride and tetramethylammonium fluoride[期刊论文]，Journal of Physical Organic Chemistry，2022-08-01
33. DOI 付宏远,姚嘉,张铭,薛灵伟,周秋菊,李尚宇,雷鸣,孟磊,张志国,李永舫
Low-cost synthesis of small molecule acceptors makes polymer solar cells commercially viable[期刊论文]，Nature Communications，2022-06-27
34. DOI 祁鹤翔,刘阳秋,蒲敏,杨作银,李亚平,雷鸣
分子点群虚拟仿真实验的建设与实践[期刊论文]，化学教育(中英文)，2022-06-18
35. DOI Zhang, Bo,Guo, Tenglong,李哲伟,Kuhn, Fritz E.,雷鸣,Zhao, Zongbao K.,Xiao, Jianliang,Zhang, Jian,Xu, Dezhu,Zhang, Tao,Li, Changzhi
Transition-metal-free synthesis of pyrimidines from lignin beta-O-4 segments via a one-pot multi-component reaction[期刊论文]，NATURE COMMUNICATIONS，2022-06-11
36. DOI 周颖,赵娅琦,史晓帆,唐艳辉,杨作银,蒲敏,雷鸣
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
37. DOI 赵娅琦,张林,唐艳辉,蒲敏,雷鸣
A theoretical study of asymmetric ketone hydrogenation catalyzed by Mn complexes: from the catalytic mechanism to the catalyst design[期刊论文]，Physical Chemistry Chemical Physics，2022-05-09
38. DOI 雷鸣,陈星钰,王英杰,张丽然,朱红,王智谦
Homogeneous and Heterogeneous Pd-Catalyzed Selective C-PActivation and Transfer Hydrogenation for?Group-Substitution?Synthesis of Trivalent Phosphines[期刊论文]，ORGANIC LETTERS，2022-04-22
39. DOI 王珞聪,李哲伟,岳彩巍,张培焕,雷鸣,蒲敏
电场下偶氮苯衍生物分子顺反异构化反应机理的理论研究[期刊论文]，化学学报，2022-04-12
40. DOI 张林,赵娅琦,刘翀,蒲敏,雷鸣,曹泽星
Hydroboration of CO2to Methyl Boronate Catalyzed by a Manganese Pincer Complex: Insights into the Reaction Mechanism and Ligand Effect[期刊论文]，Inorganic Chemistry，2022-04-11
41. DOI 祁鹤翔,王智鹏,彭鼎,韩丰泽,刘阳秋,蒲敏,杨作银,李亚平,安赛,雷鸣
分子点群的判别[期刊论文]，大学化学.，2022-03-16
42. DOI Quan, Zhuo,Mao, Li,Tang, Yi-Qi,雷鸣,Zhu, Ben-Zhan,Liu, Ya-Jun
Mechanistic Investigation of H2O2-dependent Chemiluminescence from Tetrabromo-1,4-Benzoquinone[期刊论文]，CHEMPHYSCHEM，2022-03-04
43. DOI 王锐,刘阳秋,王骞阅,张林,李哲伟,蒲敏,雷鸣
The Role of AQ in the Regioselectivity of Strong Alkyl C-O Bond Activation Catalyzed by Pd(OAc)2: A Density Functional Theory Mechanistic Study[期刊论文]，Inorganic Chemistry，2021-12-06
44. DOI 刘翀,张林,李龙飞,雷鸣
Theoretical Design of a Catalyst with Both High Activity and Selectivity in C-H Borylation[期刊论文]，Journal of Organic Chemistry，2021-12-03
45. DOI 史福兴,李晓林,Bai, Yinna,李龙飞,蒲敏,刘力,雷鸣
Mechanism of the Zinc Dithiocarbamate-Activated Rubber Vulcanization Process: A Density Functional Theory Study[期刊论文]，ACS APPLIED POLYMER MATERIALS，2021-10-08
46. DOI 赵娅琦,张林,Li, Zhewei,蒲敏,雷鸣
Theoretical study on the mechanism of C-N and C-C coupling to form indole catalyzed by Pd(OAc)(2)[期刊论文]，MOLECULAR CATALYSIS，2021-10-01
47. DOI 赵娅琦,张林,蒲敏,雷鸣
A phosphine-free Mn(i)-NNS catalyst for asymmetric transfer hydrogenation of acetophenone: a theoretical prediction[期刊论文]，DALTON TRANSACTIONS，2021-09-14
48. DOI 王好好,张尉,刘阳秋,蒲敏,雷鸣
First-Principles Study on the Mechanism of Nitrobenzene Reduction to Aniline Catalyzed by a N-Doped Carbon-Supported Cobalt Single-Atom Catalyst[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-09
49. DOI 鄢红,杨屹,王涛,陆军,何静,陈咏梅,许家喜,白守礼,王志华,雷鸣
着力优化育人要素，全面促进应用化学一流本科专业建设[期刊论文]，大学化学.，2021-09-08
50. DOI Zhu, Ling,张林,杨作银,蒲敏,雷鸣
A theoretical study of the hydroboration of alpha,beta-unsaturated carbonyl compounds catalyzed by a metal-free complex and subsequent C-C coupling with acetonitrile[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-08-21
51. DOI 张培焕,张玉凤,Li, Zhewei,高阳,雷鸣,杨作银,蒲敏
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
52. DOI Ping, Yifan,王锐,王骞阅,Chang, Taiwei,Huo, Jingfeng,雷鸣,Wang, Jianbo
Synthesis of Alkenylboronates from N-Tosylhydrazones through Palladium-Catalyzed Carbene Migratory Insertion[期刊论文]，JOURNAL OF THE AMERICAN CHEMICAL SOCIETY，2021-07-07
53. DOI Xu, Xin,张林,Zhao, Haoqiang,Pan, Yixiao,Li, Jiajie,Luo, Zhenli,Han, Jiahong,徐立进,雷鸣
Cobalt(III)-Catalyzed Regioselective C6 Olefination of 2-Pyridones Using Alkynes: Olefination/Directing Group Migration and Olefination[期刊论文]，ORGANIC LETTERS，2021-06-18
54. DOI Xu, Xin,骆宸光,Zhao, Haoqiang,Pan, Yixiao,Zhang, Xin,Li, Jiajie,徐立进,雷鸣,Walsh, Patrick J.
Rhodium(III)-Catalyzed C-H Bond Functionalization of 2-Pyridones with Alkynes: Switchable Alkenylation, Alkenylation/Directing Group Migration and Rollover Annulation[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2021-06-16
55. DOI 陶玉婷,徐金江,Zhang, Haobin,Huang, Shiliang,杨作银,孙杰,雷鸣
An experimental and theoretical study on the growth of plate-like beta-HMX crystals in the hydroxylated interlayer space[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2021-06-07
56. DOI 陶玉婷,徐金江,Zhang, Haobin,杨作银,雷鸣,孙杰
Thermal Expansion Characteristic of a New Type High Energy Explosive ICM-101[期刊论文]，含能材料，2021-05-12
57. DOI 张林,蒲敏,雷鸣
Hydrogenation of CO2 to methanol catalyzed by a manganese pincer complex: insights into the mechanism and solvent effect[期刊论文]，DALTON TRANSACTIONS，2021-04-21
58. DOI 张林,Wang, Bin,赵娅琦,蒲敏,Liu, Shubin,雷鸣
Using Bases as Initiators to Isomerize Allylic Alcohols: Insights from Density Functional Theory Studies[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2021-03-25
59. DOI 王菊,雷鸣,Wang, Zhaoxu,Liu, Yusheng,Zhuang, Wenchang,Zhu, Wenyou
Methanol oxidation over rutile Au-1@TiO2 catalyst: Importance of facets and oxygen vacancy[期刊论文]，APPLIED SURFACE SCIENCE，2021-03-15
60. DOI Li, Zhe-wei,张林,蒲敏,雷鸣
Mechanistic Understanding of Base-Catalyzed Aldimine/Ketoamine Condensations: An Old Story and A New Model[期刊论文]，ASIAN JOURNAL OF ORGANIC CHEMISTRY，2021-03-01
61. DOI 白林涛,王明坤,张林,赵美君,任美,Zheng, Lirong,雷鸣,申鹤云
Poly(Amino Acid) Coordination Nanoparticle as a Potent Sonosensitizer for Cancer Therapy[期刊论文]，ACS Applied Bio Materials，2021-01-18
62. DOI 邹寅星,李哲伟,刘阳秋,雷鸣
重叠式乙烷构象是过渡态吗[期刊论文]，化学教育(中英文)，2021-01-18
63. DOI Ding, Ruiqin,Xu, Jinjiang,Tao, Yuting,Sun, Jie,雷鸣
Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2020-08-06
64. DOI Xiong, Wenfang,Shi, Fuxing,Cheng, Ruixiang,Zhu, Baiyao,Wang, Lu,Chen, Pengquan,Lou, Hongming,Wu, Wanqing,Qi, Chaorong,雷鸣,Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
65. DOI Hu Xiao-Min,Yu Yu-Tian,Chen Si-Yu,雷鸣,蒲敏,杨作银
Hydrogen Bond Cooperative Effect in Single Cage Water Clusters[期刊论文]，CHINESE JOURNAL OF STRUCTURAL CHEMISTRY，2020-07-16
66. DOI Wang, Kun,Zhang, Lin,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
67. DOI Wang, Kun,张林,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
68. DOI Liu, Yangqiu,Yue, Xin,Li, Longfei,Li, Zhewei,Zhang, Lin,蒲敏,杨作银,Wang, Chao,Xiao, Jianliang,雷鸣
Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation[期刊论文]，INORGANIC CHEMISTRY，2020-06-15
69. DOI 张尉,蒲敏,雷鸣
Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation[期刊论文]，LANGMUIR，2020-06-02
70. DOI Li Zhewei,Wang Qianyue,蒲敏,杨作银,雷鸣
Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation[期刊论文]，ACTA CHIMICA SINICA，2020-05-15
71. DOI 雷鸣,杨作银,李亚平,蒲敏
基于“1 + 2”模式的结构化学课程在线教学实践[期刊论文]，大学化学，2020-04-17
72. DOI Luo, Chenguang,Li, Longfei,Yue, Xin,Li, Pengjie,Zhang, Lin,杨作银,蒲敏,Cao, Zexing,雷鸣
pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(eta(6)-arene)RuCl(kappa(2)-N,N-dmobpy)](+) complex: a DFT mechanistic understanding[期刊论文]，RSC ADVANCES，2020-03-15
73. DOI Luo, Chenguang,Lu, Lin,Zhang, Lin,杨作银,蒲敏,Yin, Biaolin,雷鸣
Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study[期刊论文]，THEORETICAL CHEMISTRY ACCOUNTS，2020-03-01
74. DOI 胡晓敏,余雨田,陈思宇,雷鸣,蒲敏,杨作银
单笼形水分子簇中心水分子对类型关系[期刊论文]，分子科学学报，2020-02-27
75. DOI 刘晓亮,刘阳秋,雷鸣
结构化学课程中基于网络的点群演示教学平台PGLite的开发与实践[期刊论文]，大学化学.，2020-02-19
76. DOI Wang, Ju,张尉,Zhu, Wenyou,Zhuang, Wenchang,雷鸣
Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation[期刊论文]，MOLECULAR CATALYSIS，2020-02-01
77. DOI 丁瑞琴,陶玉婷,徐金江,孙杰,雷鸣
含能化合物CL-20及其共晶的结构及性能研究进展[期刊论文]，武汉大学学报(理学版)，2020-01-02
78. DOI Cao, Zheliang,张尉,Ding, Ruiqin,Wang, Ju,蒲敏,杨作银,雷鸣
The reaction paths of CH2O decomposition on CuO(111) surface: A DFT study[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2020-01-01
79. DOI 张林,张尉,岳鑫,李鹏杰,杨作银,蒲敏,雷鸣
锰配合物催化CO2加氢生成甲酸的理论研究[期刊论文]，高等学校化学学报，2019-09-10
80. DOI Yue, Xin,Li, Longfei,Li, Pengjie,Luo, Chenguang,蒲敏,杨作银,雷鸣
A Computational Study on Iridium-Catalyzed Production of Acetic Acid from Ethanol and Water Solution[期刊论文]，CHINESE JOURNAL OF CHEMISTRY，2019-09-01
81. DOI Wang, Qianyue,Li, Longfei,Li, Pengjie,Yue, Xin,杨作银,蒲敏,雷鸣
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
82. DOI Xiao, Miao,Yue, Xin,Xu, Ruirui,Tang, Weijun,Xue, Dong,Li, Chaoqun,雷鸣,Xiao, Jianliang,Wang, Chao
Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-07-29
83. DOI 徐庆红,李嘉梁,Teng, Xu,Yue, Xin,雷鸣,Ding, Caifeng,吕超
Rapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes[期刊论文]，CHEMICAL COMMUNICATIONS，2019-05-14
84. DOI 张尉,Ma, Xue-Lu,Xiao, Hai,雷鸣,雷鸣,Li, Jun
Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2019-05-09
85. DOI Lu, Lin,Luo, Chenguang,Peng, Hui,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Access to Polycyclic Sulfonyl Indolines via Fe(II)-Catalyzed or UV-Driven Formal [2+2+1] Cyclization Reactions of N-((1H-indol-3-yl)methyl)propiolamides with NaHSO3[期刊论文]，ORGANIC LETTERS，2019-04-19
86. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
87. DOI 余雨田,胡晓敏,雷鸣,杨作银
笼形水合簇中水分子对与氢键能的关系[期刊论文]，北京化工大学学报(自然科学版)，2018-11-20
88. DOI Li, Pengjie,Li, Longfei,Yue, Xin,Wang, Qianyue,蒲敏,杨作银,雷鸣
1,2 addition or cycloaddition of allenes by a dihafnium mu-Nitrido complex? A DFT study[期刊论文]，JOURNAL OF ORGANOMETALLIC CHEMISTRY，2018-11-01
89. DOI 马嘉苓,张慧,张欣,雷鸣
3D-QSAR Studies of D3R Antagonists and 5-HT1AR Agonists[期刊论文]，J. Mol. Graph. Model，2018-10-12
90. DOI Zhang, Pei-Huan,蒲敏,Gao, Yang,Zhang, Yu-Feng,雷鸣,杨作银
Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2018-10-04
91. DOI Li, Longfei,雷鸣,刘力,Xie, Yaoming,Schaefer, Henry F., III
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst[期刊论文]，INORGANIC CHEMISTRY，2018-08-06
92. DOI Li, Longfei,雷鸣,Xie, Yaoming,Weinhold, Frank,Schaefer, Henry F., III
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its AI, Ga, In, and TI Congeners1[期刊论文]，INORGANIC CHEMISTRY，2018-07-02
93. DOI Li, Pengjie,Xi, Yanxia,Li, Longfei,李慧,Sun, Wen-Hua,雷鸣
A DFT study on ring-opening polymerization of epsilon-caprolactone initiated by Mg and Al complexes[期刊论文]，INORGANICA CHIMICA ACTA，2018-05-24
94. DOI Wang, Chen-Xi,蒲敏,Zhang, Pei-Huan,Gao, Yang,杨作银,雷鸣
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
95. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki-Miyaura交叉偶联反应催化活性组分生成机理的理论研究1[期刊论文]，高等学校化学学报，2018-04-10
96. DOI Li, Longfei,Zhu, Huajie,刘力,Song, Datong,雷鸣
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
97. DOI Li, Zhe,雷鸣,陈娟,祁欣
An All-Solid-State Polymeric Membrane chloride ion-selective Electrode with Nanowires poly(3,4-ethylenedioxythiophene) as Solid Contact[期刊论文]，INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE，2017-12-01
98. DOI 雷鸣
加强国际合作,促进计算金属有机催化学科发展[期刊论文]，国际学术动态，2017-10-15
99. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane : Characteristic Features of Iron Species[期刊论文]，ORGANOMETALLICS，2017-09-25
100. DOI Li, Longfei,雷鸣,Xie, Yaoming,Schaefer, Henry F., III,Chen, Bo,Hoffmann, Roald
Stabilizing a different cyclooctatetraene stereoisomer[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2017-09-12
101. DOI 王海霞,王婉秦,蒲敏,雷鸣,王向东
翻转课堂模式在光度法测铁实验教学中的应用[期刊论文]，大学化学，2017-06-28
102. DOI 岳鑫,李慧,雷鸣
Ti碳氧化物催化氮氮裂解的密度泛函理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
103. DOI 李鹏杰,席艳霞,李慧,雷鸣
镁/铝格氏试剂催化ε-己内酯开环聚合的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
104. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki–Miyaura交叉偶联反应的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
105. DOI 李龙飞,雷鸣
金属-底物协同作用——Ru配合物催化氨基乙醇脱氢酰胺化反应的理论研究[会议论文]，第十三届全国量子化学会议报告集，2017-06-08
106. DOI 王晶,He, Lei,Nan, Feng,Wang, Fan,Li, Hongming,雷鸣,Li, Longfei,黄启谷,杨万泰
Investigation on terpolymer of ethylene/propylene/omega-bromo-alpha-olefins catalyzed by titanium complexes[期刊论文]，JOURNAL OF MATERIALS SCIENCE，2017-05-01
107. DOI Ma,Xuelu,雷鸣
Mechanistic Insights into the Directed Hydrogenation of Hydroxylated Alkene Catalyzed by Bis(phosphine)cobalt Dialkyl Complexes[期刊论文]，Journal of Organic Chemistry，2017-03-03
108. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species[期刊论文]，Organometallics，2017-01-01
109. DOI Xi, Yanxia,Rajendran, Natesan Mannangatti,Zhang, Wenjuan,Sun, Yang,雷鸣,Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
110. DOI 李辉,Ma, Xuelu,Zhang, Baohua,雷鸣
DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C-H Activation/Carbocyclization Catalyzed by Pd(OAc)(2)[期刊论文]，ORGANOMETALLICS，2016-10-10
111. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
112. DOI 李慧,雷鸣
Pd（OAc） 2 催化芳基联烯发生二聚反应的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
113. DOI 李龙飞,雷鸣
硼基钴与硼基镍化合物在烯烃氢化反应中的活性差别的机理研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
114. DOI 马雪璐,雷鸣,Paul J.Chirik,何静
廉价金属配合物催化氢化烯烃反应机理的理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
115. DOI 李龙飞,雷鸣
双膦双胺过渡金属钌催化剂催化不对称酮氢化的反应机理及三维构效模型研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
116. DOI 张益伟,雷鸣
Ti氮氧化物中C-N键生成和C-O键裂解机理的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
117. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
118. DOI Li,Longfei,Pan,Yuhui,雷鸣
The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: Insights from a 3D-QSSR and DFT study[期刊论文]，Catalysis Science and Technology，2016-01-01
119. DOI 段新丽,张欣,雷鸣
烟酰胺酶催化水解脱氨反应的QM/MM分子动力学模拟[期刊论文]，高等学校化学学报，2015-12-10
120. DOI 李龙飞,摆音娜,雷鸣,刘力
橡胶硫化促进剂的研究进展[期刊论文]，化学进展，2015-10-16
121. DOI Ma, Xuelu,雷鸣,Liu, Shubin
Homolytic or Heterolytic Dihydrogen Splitting with Ditantalum/Dizirconium Dinitrogen Complexes? A Computational Study[期刊论文]，ORGANOMETALLICS，2015-04-13
122. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
123. DOI 雷鸣,Pan, Yuhui,Ma, Xuelu
The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions[期刊论文]，EUROPEAN JOURNAL OF INORGANIC CHEMISTRY，2015-02-01
124. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
125. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
126. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Bent and planar structures of it mu-eta(2):eta(2)-N-2 dinuclear early transition metal complexes[期刊论文]，DALTON TRANSACTIONS，2014-08-14
127. DOI 马雪璐,唐艳辉,雷鸣
Bent and Planar Structures of μ-η 2 ,η 2 -N 2 Binuclear Early Transition-Metal Complexes[会议论文]，中国化学会第十二届全国量子化学会议论文摘要集，2014-06-12
128. DOI 赵丽君,雷鸣
甲状腺结合前清蛋白的理论研究[期刊论文]，化学进展，2013-12-25
129. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
130. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
131. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
132. DOI Zhao LiJun,Zhang LiangRen,雷鸣
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
133. DOI Ma Xuelu,雷鸣
Dinitrogen Fixation Activated by Binuclear Transition-Metal Complexes[期刊论文]，PROGRESS IN CHEMISTRY，2013-08-24
134. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
135. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
136. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
137. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
138. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01
139. DOI Feng, Xin-Tian,Yu, Jian-Guo,雷鸣,Fang, Wei-Hai,Liu, Shubin
Toward understanding metal-binding specificity of porphyrin: A conceptual density functional theory study[期刊论文]，Journal of Physical Chemistry B，2009-10-08
140. DOI Wang, Guilei,Chen, Yue,Zhong, Aiguo,杜洪光,雷鸣
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05
141. DOI Yang, Mingfeng,雷鸣,Yordanov, Boyan,Huo, Shuanghong
Peptide plane can flip in two opposite directions: Implication in amyloid formation of transthyretin[期刊论文]，Journal of Physical Chemistry B，2006-03-30

[+][-]2022年

1. DOI Liu, Jingjiao,张娇娇,Sun, Min,Li, Hongming,雷鸣,黄启谷
Ethylene/Polar Monomer Copolymerization by [N, P] Ti Complexes: Polar Copolymers with Ultrahigh-Molecular Weight[期刊论文]，ACS OMEGA，2024-03-19
2. DOI 唐艳辉,蒲敏,雷鸣
Cyclopentadienone Diphosphine Ruthenium Complex: A Designed Catalyst for the Hydrogenation of Carbon Dioxide to Methanol[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2024-02-02
3. DOI Zhang, Lin,雷鸣,Cao, Zexing
Hydroboration Reduction of CO2 Catalyzed by a Doubly Reduced Arylborane: DFT Insight into Double Active-Site and CO2 Self-Promoting Single Active-Site Mechanisms and Counterion Effects[期刊论文]，ACS Catalysis，2023-12-19
4. DOI Yunfan Yue,Tian Ma,Yaqi Zhao,Xiaofan Shi,Yanhui Tang,蒲敏,雷鸣
The Theoretical Design of Manganese Catalysts with Si-N-Si-C-Si-C Six-membered Ring Core-based Bowl-shaped Quadridentate Ligand for the Hydrogenation of C=O/C=N Bonds[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-09-27
5. DOI Haohao Wang,Caiwei Yue,Jirui Du,蒲敏,雷鸣
First Principles Study on the Mechanism of Nitrobenzene Hydrogenation by a Ni1/CeO2-x(111) Single-Atom Catalyst[期刊论文]，Journal of Physical Chemistry C，2023-08-31
6. DOI Xiangling Luo,李哲伟,Yuzhen Zheng,Yueping Lin,Huangfeng Jiang,Lukas J. Goo？en,雷鸣,Liangbin Huang
Ligand-Enabled ortho-Arylation of (hetero)Aromatic Acids with 2,6-Disubstituted Aryl Halides[期刊论文]，ACS Catal.，2023-08-30
7. DOI Zhenli Luo,Zhewei Li,Haoqiang Zhao,Ji Yang,Lijin Xu,雷鸣,Qinghua Fan,Patrick J. Walsh
Borane-Catalyzed Tandem Cyclization/Hydrosilylation Towards Enantio- and Diastereoselective Construction of trans-2,3-Disubstituted-1,2,3,4-Tetrahydroquinoxalines[期刊论文]，Angewandte Chemie-International Edition，2023-08-07
8. DOI Chen, Ziqiang,Qi, Hexiang,王好好,岳彩巍,刘阳秋,杨作银,蒲敏,雷鸣
The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-07-19
9. DOI Yulan Dai,Zhewei Li,蒲敏,雷鸣
Understanding the Mechanism and Selectivity of 1,1-Diborylalkanes from Alkenes Catalyzed by Zirconium Complex[期刊论文]，INORGANIC CHEMISTRY，2023-07-10
10. DOI Ali, Qaim,李哲伟,张林,骆宸光,蒲敏,雷鸣
DFT Mechanistic Investigation on Manganese Pincer Complex Catalysed Cross-Coupling of Methanol with Benzyl Alcohol to Afford Methyl Benzoate[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2023-06-22
11. DOI 金登雨,Xu, Jinjiang,Zhang, Haobin,雷鸣,Sun, Jie
Comparative Study of Experiments and Calculations on the Guest Molecules' Escaping Mechanism of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2023-06-12
12. DOI 温静,Zhewei Li,Yanhui Tang,蒲敏,雷鸣
Mechanistic Insight of Amides Formation from Aryl Epoxides and Amines Catalyzed by Ruthenium Pincer Complexes: A DFT Study[期刊论文]，DALTON TRANSACTIONS，2023-05-19
13. DOI Bin Wang,荣春英,雷鸣,Shubin Liu,Frank De Proft
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex[期刊论文]，INORGANIC CHEMISTRY，2023-05-15
14. DOI 刘阳秋,祁鹤翔,雷鸣
Improved Elastic Image Pair Method for Finding Transition States[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2023-04-25
15. DOI 张培焕,Zhu, Yue,Li, Zhewei,王珞聪,岳彩巍,雷鸣,蒲敏
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
16. DOI Jiang, Kai,王好好,Xie, Yi,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Remote-Group-Assisted Facile Oxidative Arylation of Furans and Pyrroles[期刊论文]，ACS Catalysis，2023-03-17
17. DOI 戴玉兰,Yuan, Binfang,李哲伟,张林,李龙飞,蒲敏,雷鸣
Density Functional Theory Study on the H2-Acceptorless Dehydrogenative Boration of Alkenes Catalyzed by a Zirconium Complex[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-12-16
18. DOI 马雪璐,李蒙,雷鸣
三核过渡金属配合物在催化反应中的研究进展[期刊论文]，化学学报，2022-12-06
19. DOI Ali, Qaim,陈永勇,张瑞雪,李哲伟,唐艳辉,蒲敏,雷鸣
The Origin of Stereoselectivity in the Hydrogenation of Oximes Catalyzed by Iridium Complexes: A DFT Mechanistic Study[期刊论文]，MOLECULES，2022-11-30
20. DOI 岳彩巍,王珞聪,王好好,杜吉瑞,雷鸣,蒲敏
First-Principles Study on the Electrocatalytic Oxygen Evolution Reaction on the (110) Surfaces of Layered Double Hydroxides[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2022-11-03
21. DOI 刘雪慧,王好好,李伟丹,陈佳雯,房嘉琪,Yan, Xiaoying,Mi, Shuo,洪崧,雷鸣,殷雄,Bai, Lu,Guo, Yanjun,Xu, Rui,Cheng, Zhihai,汪乐余
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
22. DOI Zhu, Baiyao,李哲伟,Chen, Fulin,Xiong, Wenfang,Tan, Xiaobin,雷鸣,Wu, Wanqing,Jiang, Huanfeng
Palladium-catalyzed oxidative Heck reaction of non-activated alkenes directed by fluorinated alcohol[期刊论文]，Chemical Communications，2022-10-20
23. DOI Lulu Zhang,Caiwei Yue,Lin Zhang,Peihuan Zhang,Luocong Wang,雷鸣,蒲敏
A DFT Study on the Isomerization Mechanism of Azobenzene Derivatives on Silicon Substrate[期刊论文]，New Journal of Chemistry，2022-10-19
24. DOI Li, Meng,张瑞雪,Gao, Qiushan,Jiang, Huanfeng,雷鸣,Wu, Wanqing
Divergent Synthesis of Fused Tetracyclic Heterocycles from Diarylalkynes Enabled by the Selective Insertion of Isocyanide[期刊论文]，Angewandte Chemie - International Edition，2022-10-17
25. DOI 张培焕,李哲伟,刘阳秋,史福兴,王珞聪,蒲敏,雷鸣
Hydride Relay Exchange Mechanism for the Heterocyclic C-H Arylation of Benzofuran and Benzothiophene Catalyzed by Pd Complexes[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-10-07
26. DOI Ding, Yangming,Guo, Tenglong,李哲伟,Zhang, Bo,Kühn, Fritz E.,Liu, Chang,Zhang, Jian,Xu, Dezhu,雷鸣,Zhang, Tao,Li, Changzhi
Transition-Metal-Free Synthesis of Functionalized Quinolines by Direct Conversion of β-O-4 Model Compounds[期刊论文]，Angewandte Chemie-International Edition，2022-09-19
27. DOI 王好好,史福兴,蒲敏,雷鸣
Theoretical Study on Nitrobenzene Hydrogenation by N-Doped Carbon-Supported Late Transition Metal Single-Atom Catalysts[期刊论文]，ACS Catalysis，2022-09-16
28. DOI 刘新原,史福兴,金超超,Liu, Binbin,雷鸣,谭嘉靖
Stereospecific synthesis of monofluoroalkenes and their deuterated analogues via Ag-catalyzed decarboxylation[期刊论文]，Journal of Catalysis，2022-09-01
29. DOI 史福兴,Ren, Xiaochuan,王好好,蒲敏,刘力,雷鸣
Neutral Phosphine-Sulfonate Pd Complex-Catalyzed Copolymerization of 2-Methoxystyrene and Ethylene Polar Monomers: A DFT Mechanistic Study[期刊论文]，ACS Applied Polymer Materials，2022-08-12
30. DOI 刘阳秋,祁鹤翔,雷鸣
Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2022-08-09
31. DOI 李哲伟,张会丽,谭天伟,雷鸣
The mechanism of direct reductive amination of aldehyde and amine with formic acid catalyzed by boron trifluoride complexes: insights from a DFT study[期刊论文]，Catalysis Science and Technology，2022-08-02
32. DOI 盛晨曦,李哲伟,蒲敏,雷鸣
Theoretical study on the mechanism of the benzaldehyde deoxyfluorination by sulfuryl fluoride and tetramethylammonium fluoride[期刊论文]，Journal of Physical Organic Chemistry，2022-08-01
33. DOI 付宏远,姚嘉,张铭,薛灵伟,周秋菊,李尚宇,雷鸣,孟磊,张志国,李永舫
Low-cost synthesis of small molecule acceptors makes polymer solar cells commercially viable[期刊论文]，Nature Communications，2022-06-27
34. DOI 祁鹤翔,刘阳秋,蒲敏,杨作银,李亚平,雷鸣
分子点群虚拟仿真实验的建设与实践[期刊论文]，化学教育(中英文)，2022-06-18
35. DOI Zhang, Bo,Guo, Tenglong,李哲伟,Kuhn, Fritz E.,雷鸣,Zhao, Zongbao K.,Xiao, Jianliang,Zhang, Jian,Xu, Dezhu,Zhang, Tao,Li, Changzhi
Transition-metal-free synthesis of pyrimidines from lignin beta-O-4 segments via a one-pot multi-component reaction[期刊论文]，NATURE COMMUNICATIONS，2022-06-11
36. DOI 周颖,赵娅琦,史晓帆,唐艳辉,杨作银,蒲敏,雷鸣
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
37. DOI 赵娅琦,张林,唐艳辉,蒲敏,雷鸣
A theoretical study of asymmetric ketone hydrogenation catalyzed by Mn complexes: from the catalytic mechanism to the catalyst design[期刊论文]，Physical Chemistry Chemical Physics，2022-05-09
38. DOI 雷鸣,陈星钰,王英杰,张丽然,朱红,王智谦
Homogeneous and Heterogeneous Pd-Catalyzed Selective C-PActivation and Transfer Hydrogenation for?Group-Substitution?Synthesis of Trivalent Phosphines[期刊论文]，ORGANIC LETTERS，2022-04-22
39. DOI 王珞聪,李哲伟,岳彩巍,张培焕,雷鸣,蒲敏
电场下偶氮苯衍生物分子顺反异构化反应机理的理论研究[期刊论文]，化学学报，2022-04-12
40. DOI 张林,赵娅琦,刘翀,蒲敏,雷鸣,曹泽星
Hydroboration of CO2to Methyl Boronate Catalyzed by a Manganese Pincer Complex: Insights into the Reaction Mechanism and Ligand Effect[期刊论文]，Inorganic Chemistry，2022-04-11
41. DOI 祁鹤翔,王智鹏,彭鼎,韩丰泽,刘阳秋,蒲敏,杨作银,李亚平,安赛,雷鸣
分子点群的判别[期刊论文]，大学化学.，2022-03-16
42. DOI Quan, Zhuo,Mao, Li,Tang, Yi-Qi,雷鸣,Zhu, Ben-Zhan,Liu, Ya-Jun
Mechanistic Investigation of H2O2-dependent Chemiluminescence from Tetrabromo-1,4-Benzoquinone[期刊论文]，CHEMPHYSCHEM，2022-03-04
43. DOI 王锐,刘阳秋,王骞阅,张林,李哲伟,蒲敏,雷鸣
The Role of AQ in the Regioselectivity of Strong Alkyl C-O Bond Activation Catalyzed by Pd(OAc)2: A Density Functional Theory Mechanistic Study[期刊论文]，Inorganic Chemistry，2021-12-06
44. DOI 刘翀,张林,李龙飞,雷鸣
Theoretical Design of a Catalyst with Both High Activity and Selectivity in C-H Borylation[期刊论文]，Journal of Organic Chemistry，2021-12-03
45. DOI 史福兴,李晓林,Bai, Yinna,李龙飞,蒲敏,刘力,雷鸣
Mechanism of the Zinc Dithiocarbamate-Activated Rubber Vulcanization Process: A Density Functional Theory Study[期刊论文]，ACS APPLIED POLYMER MATERIALS，2021-10-08
46. DOI 赵娅琦,张林,Li, Zhewei,蒲敏,雷鸣
Theoretical study on the mechanism of C-N and C-C coupling to form indole catalyzed by Pd(OAc)(2)[期刊论文]，MOLECULAR CATALYSIS，2021-10-01
47. DOI 赵娅琦,张林,蒲敏,雷鸣
A phosphine-free Mn(i)-NNS catalyst for asymmetric transfer hydrogenation of acetophenone: a theoretical prediction[期刊论文]，DALTON TRANSACTIONS，2021-09-14
48. DOI 王好好,张尉,刘阳秋,蒲敏,雷鸣
First-Principles Study on the Mechanism of Nitrobenzene Reduction to Aniline Catalyzed by a N-Doped Carbon-Supported Cobalt Single-Atom Catalyst[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-09
49. DOI 鄢红,杨屹,王涛,陆军,何静,陈咏梅,许家喜,白守礼,王志华,雷鸣
着力优化育人要素，全面促进应用化学一流本科专业建设[期刊论文]，大学化学.，2021-09-08
50. DOI Zhu, Ling,张林,杨作银,蒲敏,雷鸣
A theoretical study of the hydroboration of alpha,beta-unsaturated carbonyl compounds catalyzed by a metal-free complex and subsequent C-C coupling with acetonitrile[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-08-21
51. DOI 张培焕,张玉凤,Li, Zhewei,高阳,雷鸣,杨作银,蒲敏
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
52. DOI Ping, Yifan,王锐,王骞阅,Chang, Taiwei,Huo, Jingfeng,雷鸣,Wang, Jianbo
Synthesis of Alkenylboronates from N-Tosylhydrazones through Palladium-Catalyzed Carbene Migratory Insertion[期刊论文]，JOURNAL OF THE AMERICAN CHEMICAL SOCIETY，2021-07-07
53. DOI Xu, Xin,张林,Zhao, Haoqiang,Pan, Yixiao,Li, Jiajie,Luo, Zhenli,Han, Jiahong,徐立进,雷鸣
Cobalt(III)-Catalyzed Regioselective C6 Olefination of 2-Pyridones Using Alkynes: Olefination/Directing Group Migration and Olefination[期刊论文]，ORGANIC LETTERS，2021-06-18
54. DOI Xu, Xin,骆宸光,Zhao, Haoqiang,Pan, Yixiao,Zhang, Xin,Li, Jiajie,徐立进,雷鸣,Walsh, Patrick J.
Rhodium(III)-Catalyzed C-H Bond Functionalization of 2-Pyridones with Alkynes: Switchable Alkenylation, Alkenylation/Directing Group Migration and Rollover Annulation[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2021-06-16
55. DOI 陶玉婷,徐金江,Zhang, Haobin,Huang, Shiliang,杨作银,孙杰,雷鸣
An experimental and theoretical study on the growth of plate-like beta-HMX crystals in the hydroxylated interlayer space[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2021-06-07
56. DOI 陶玉婷,徐金江,Zhang, Haobin,杨作银,雷鸣,孙杰
Thermal Expansion Characteristic of a New Type High Energy Explosive ICM-101[期刊论文]，含能材料，2021-05-12
57. DOI 张林,蒲敏,雷鸣
Hydrogenation of CO2 to methanol catalyzed by a manganese pincer complex: insights into the mechanism and solvent effect[期刊论文]，DALTON TRANSACTIONS，2021-04-21
58. DOI 张林,Wang, Bin,赵娅琦,蒲敏,Liu, Shubin,雷鸣
Using Bases as Initiators to Isomerize Allylic Alcohols: Insights from Density Functional Theory Studies[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2021-03-25
59. DOI 王菊,雷鸣,Wang, Zhaoxu,Liu, Yusheng,Zhuang, Wenchang,Zhu, Wenyou
Methanol oxidation over rutile Au-1@TiO2 catalyst: Importance of facets and oxygen vacancy[期刊论文]，APPLIED SURFACE SCIENCE，2021-03-15
60. DOI Li, Zhe-wei,张林,蒲敏,雷鸣
Mechanistic Understanding of Base-Catalyzed Aldimine/Ketoamine Condensations: An Old Story and A New Model[期刊论文]，ASIAN JOURNAL OF ORGANIC CHEMISTRY，2021-03-01
61. DOI 白林涛,王明坤,张林,赵美君,任美,Zheng, Lirong,雷鸣,申鹤云
Poly(Amino Acid) Coordination Nanoparticle as a Potent Sonosensitizer for Cancer Therapy[期刊论文]，ACS Applied Bio Materials，2021-01-18
62. DOI 邹寅星,李哲伟,刘阳秋,雷鸣
重叠式乙烷构象是过渡态吗[期刊论文]，化学教育(中英文)，2021-01-18
63. DOI Ding, Ruiqin,Xu, Jinjiang,Tao, Yuting,Sun, Jie,雷鸣
Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2020-08-06
64. DOI Xiong, Wenfang,Shi, Fuxing,Cheng, Ruixiang,Zhu, Baiyao,Wang, Lu,Chen, Pengquan,Lou, Hongming,Wu, Wanqing,Qi, Chaorong,雷鸣,Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
65. DOI Hu Xiao-Min,Yu Yu-Tian,Chen Si-Yu,雷鸣,蒲敏,杨作银
Hydrogen Bond Cooperative Effect in Single Cage Water Clusters[期刊论文]，CHINESE JOURNAL OF STRUCTURAL CHEMISTRY，2020-07-16
66. DOI Wang, Kun,Zhang, Lin,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
67. DOI Wang, Kun,张林,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
68. DOI Liu, Yangqiu,Yue, Xin,Li, Longfei,Li, Zhewei,Zhang, Lin,蒲敏,杨作银,Wang, Chao,Xiao, Jianliang,雷鸣
Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation[期刊论文]，INORGANIC CHEMISTRY，2020-06-15
69. DOI 张尉,蒲敏,雷鸣
Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation[期刊论文]，LANGMUIR，2020-06-02
70. DOI Li Zhewei,Wang Qianyue,蒲敏,杨作银,雷鸣
Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation[期刊论文]，ACTA CHIMICA SINICA，2020-05-15
71. DOI 雷鸣,杨作银,李亚平,蒲敏
基于“1 + 2”模式的结构化学课程在线教学实践[期刊论文]，大学化学，2020-04-17
72. DOI Luo, Chenguang,Li, Longfei,Yue, Xin,Li, Pengjie,Zhang, Lin,杨作银,蒲敏,Cao, Zexing,雷鸣
pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(eta(6)-arene)RuCl(kappa(2)-N,N-dmobpy)](+) complex: a DFT mechanistic understanding[期刊论文]，RSC ADVANCES，2020-03-15
73. DOI Luo, Chenguang,Lu, Lin,Zhang, Lin,杨作银,蒲敏,Yin, Biaolin,雷鸣
Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study[期刊论文]，THEORETICAL CHEMISTRY ACCOUNTS，2020-03-01
74. DOI 胡晓敏,余雨田,陈思宇,雷鸣,蒲敏,杨作银
单笼形水分子簇中心水分子对类型关系[期刊论文]，分子科学学报，2020-02-27
75. DOI 刘晓亮,刘阳秋,雷鸣
结构化学课程中基于网络的点群演示教学平台PGLite的开发与实践[期刊论文]，大学化学.，2020-02-19
76. DOI Wang, Ju,张尉,Zhu, Wenyou,Zhuang, Wenchang,雷鸣
Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation[期刊论文]，MOLECULAR CATALYSIS，2020-02-01
77. DOI 丁瑞琴,陶玉婷,徐金江,孙杰,雷鸣
含能化合物CL-20及其共晶的结构及性能研究进展[期刊论文]，武汉大学学报(理学版)，2020-01-02
78. DOI Cao, Zheliang,张尉,Ding, Ruiqin,Wang, Ju,蒲敏,杨作银,雷鸣
The reaction paths of CH2O decomposition on CuO(111) surface: A DFT study[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2020-01-01
79. DOI 张林,张尉,岳鑫,李鹏杰,杨作银,蒲敏,雷鸣
锰配合物催化CO2加氢生成甲酸的理论研究[期刊论文]，高等学校化学学报，2019-09-10
80. DOI Yue, Xin,Li, Longfei,Li, Pengjie,Luo, Chenguang,蒲敏,杨作银,雷鸣
A Computational Study on Iridium-Catalyzed Production of Acetic Acid from Ethanol and Water Solution[期刊论文]，CHINESE JOURNAL OF CHEMISTRY，2019-09-01
81. DOI Wang, Qianyue,Li, Longfei,Li, Pengjie,Yue, Xin,杨作银,蒲敏,雷鸣
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
82. DOI Xiao, Miao,Yue, Xin,Xu, Ruirui,Tang, Weijun,Xue, Dong,Li, Chaoqun,雷鸣,Xiao, Jianliang,Wang, Chao
Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-07-29
83. DOI 徐庆红,李嘉梁,Teng, Xu,Yue, Xin,雷鸣,Ding, Caifeng,吕超
Rapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes[期刊论文]，CHEMICAL COMMUNICATIONS，2019-05-14
84. DOI 张尉,Ma, Xue-Lu,Xiao, Hai,雷鸣,雷鸣,Li, Jun
Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2019-05-09
85. DOI Lu, Lin,Luo, Chenguang,Peng, Hui,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Access to Polycyclic Sulfonyl Indolines via Fe(II)-Catalyzed or UV-Driven Formal [2+2+1] Cyclization Reactions of N-((1H-indol-3-yl)methyl)propiolamides with NaHSO3[期刊论文]，ORGANIC LETTERS，2019-04-19
86. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
87. DOI 余雨田,胡晓敏,雷鸣,杨作银
笼形水合簇中水分子对与氢键能的关系[期刊论文]，北京化工大学学报(自然科学版)，2018-11-20
88. DOI Li, Pengjie,Li, Longfei,Yue, Xin,Wang, Qianyue,蒲敏,杨作银,雷鸣
1,2 addition or cycloaddition of allenes by a dihafnium mu-Nitrido complex? A DFT study[期刊论文]，JOURNAL OF ORGANOMETALLIC CHEMISTRY，2018-11-01
89. DOI 马嘉苓,张慧,张欣,雷鸣
3D-QSAR Studies of D3R Antagonists and 5-HT1AR Agonists[期刊论文]，J. Mol. Graph. Model，2018-10-12
90. DOI Zhang, Pei-Huan,蒲敏,Gao, Yang,Zhang, Yu-Feng,雷鸣,杨作银
Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2018-10-04
91. DOI Li, Longfei,雷鸣,刘力,Xie, Yaoming,Schaefer, Henry F., III
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst[期刊论文]，INORGANIC CHEMISTRY，2018-08-06
92. DOI Li, Longfei,雷鸣,Xie, Yaoming,Weinhold, Frank,Schaefer, Henry F., III
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its AI, Ga, In, and TI Congeners1[期刊论文]，INORGANIC CHEMISTRY，2018-07-02
93. DOI Li, Pengjie,Xi, Yanxia,Li, Longfei,李慧,Sun, Wen-Hua,雷鸣
A DFT study on ring-opening polymerization of epsilon-caprolactone initiated by Mg and Al complexes[期刊论文]，INORGANICA CHIMICA ACTA，2018-05-24
94. DOI Wang, Chen-Xi,蒲敏,Zhang, Pei-Huan,Gao, Yang,杨作银,雷鸣
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
95. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki-Miyaura交叉偶联反应催化活性组分生成机理的理论研究1[期刊论文]，高等学校化学学报，2018-04-10
96. DOI Li, Longfei,Zhu, Huajie,刘力,Song, Datong,雷鸣
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
97. DOI Li, Zhe,雷鸣,陈娟,祁欣
An All-Solid-State Polymeric Membrane chloride ion-selective Electrode with Nanowires poly(3,4-ethylenedioxythiophene) as Solid Contact[期刊论文]，INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE，2017-12-01
98. DOI 雷鸣
加强国际合作,促进计算金属有机催化学科发展[期刊论文]，国际学术动态，2017-10-15
99. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane : Characteristic Features of Iron Species[期刊论文]，ORGANOMETALLICS，2017-09-25
100. DOI Li, Longfei,雷鸣,Xie, Yaoming,Schaefer, Henry F., III,Chen, Bo,Hoffmann, Roald
Stabilizing a different cyclooctatetraene stereoisomer[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2017-09-12
101. DOI 王海霞,王婉秦,蒲敏,雷鸣,王向东
翻转课堂模式在光度法测铁实验教学中的应用[期刊论文]，大学化学，2017-06-28
102. DOI 岳鑫,李慧,雷鸣
Ti碳氧化物催化氮氮裂解的密度泛函理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
103. DOI 李鹏杰,席艳霞,李慧,雷鸣
镁/铝格氏试剂催化ε-己内酯开环聚合的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
104. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki–Miyaura交叉偶联反应的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
105. DOI 李龙飞,雷鸣
金属-底物协同作用——Ru配合物催化氨基乙醇脱氢酰胺化反应的理论研究[会议论文]，第十三届全国量子化学会议报告集，2017-06-08
106. DOI 王晶,He, Lei,Nan, Feng,Wang, Fan,Li, Hongming,雷鸣,Li, Longfei,黄启谷,杨万泰
Investigation on terpolymer of ethylene/propylene/omega-bromo-alpha-olefins catalyzed by titanium complexes[期刊论文]，JOURNAL OF MATERIALS SCIENCE，2017-05-01
107. DOI Ma,Xuelu,雷鸣
Mechanistic Insights into the Directed Hydrogenation of Hydroxylated Alkene Catalyzed by Bis(phosphine)cobalt Dialkyl Complexes[期刊论文]，Journal of Organic Chemistry，2017-03-03
108. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species[期刊论文]，Organometallics，2017-01-01
109. DOI Xi, Yanxia,Rajendran, Natesan Mannangatti,Zhang, Wenjuan,Sun, Yang,雷鸣,Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
110. DOI 李辉,Ma, Xuelu,Zhang, Baohua,雷鸣
DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C-H Activation/Carbocyclization Catalyzed by Pd(OAc)(2)[期刊论文]，ORGANOMETALLICS，2016-10-10
111. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
112. DOI 李慧,雷鸣
Pd（OAc） 2 催化芳基联烯发生二聚反应的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
113. DOI 李龙飞,雷鸣
硼基钴与硼基镍化合物在烯烃氢化反应中的活性差别的机理研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
114. DOI 马雪璐,雷鸣,Paul J.Chirik,何静
廉价金属配合物催化氢化烯烃反应机理的理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
115. DOI 李龙飞,雷鸣
双膦双胺过渡金属钌催化剂催化不对称酮氢化的反应机理及三维构效模型研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
116. DOI 张益伟,雷鸣
Ti氮氧化物中C-N键生成和C-O键裂解机理的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
117. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
118. DOI Li,Longfei,Pan,Yuhui,雷鸣
The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: Insights from a 3D-QSSR and DFT study[期刊论文]，Catalysis Science and Technology，2016-01-01
119. DOI 段新丽,张欣,雷鸣
烟酰胺酶催化水解脱氨反应的QM/MM分子动力学模拟[期刊论文]，高等学校化学学报，2015-12-10
120. DOI 李龙飞,摆音娜,雷鸣,刘力
橡胶硫化促进剂的研究进展[期刊论文]，化学进展，2015-10-16
121. DOI Ma, Xuelu,雷鸣,Liu, Shubin
Homolytic or Heterolytic Dihydrogen Splitting with Ditantalum/Dizirconium Dinitrogen Complexes? A Computational Study[期刊论文]，ORGANOMETALLICS，2015-04-13
122. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
123. DOI 雷鸣,Pan, Yuhui,Ma, Xuelu
The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions[期刊论文]，EUROPEAN JOURNAL OF INORGANIC CHEMISTRY，2015-02-01
124. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
125. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
126. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Bent and planar structures of it mu-eta(2):eta(2)-N-2 dinuclear early transition metal complexes[期刊论文]，DALTON TRANSACTIONS，2014-08-14
127. DOI 马雪璐,唐艳辉,雷鸣
Bent and Planar Structures of μ-η 2 ,η 2 -N 2 Binuclear Early Transition-Metal Complexes[会议论文]，中国化学会第十二届全国量子化学会议论文摘要集，2014-06-12
128. DOI 赵丽君,雷鸣
甲状腺结合前清蛋白的理论研究[期刊论文]，化学进展，2013-12-25
129. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
130. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
131. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
132. DOI Zhao LiJun,Zhang LiangRen,雷鸣
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
133. DOI Ma Xuelu,雷鸣
Dinitrogen Fixation Activated by Binuclear Transition-Metal Complexes[期刊论文]，PROGRESS IN CHEMISTRY，2013-08-24
134. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
135. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
136. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
137. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
138. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01
139. DOI Feng, Xin-Tian,Yu, Jian-Guo,雷鸣,Fang, Wei-Hai,Liu, Shubin
Toward understanding metal-binding specificity of porphyrin: A conceptual density functional theory study[期刊论文]，Journal of Physical Chemistry B，2009-10-08
140. DOI Wang, Guilei,Chen, Yue,Zhong, Aiguo,杜洪光,雷鸣
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05
141. DOI Yang, Mingfeng,雷鸣,Yordanov, Boyan,Huo, Shuanghong
Peptide plane can flip in two opposite directions: Implication in amyloid formation of transthyretin[期刊论文]，Journal of Physical Chemistry B，2006-03-30

[+][-]2021年

1. DOI Liu, Jingjiao,张娇娇,Sun, Min,Li, Hongming,雷鸣,黄启谷
Ethylene/Polar Monomer Copolymerization by [N, P] Ti Complexes: Polar Copolymers with Ultrahigh-Molecular Weight[期刊论文]，ACS OMEGA，2024-03-19
2. DOI 唐艳辉,蒲敏,雷鸣
Cyclopentadienone Diphosphine Ruthenium Complex: A Designed Catalyst for the Hydrogenation of Carbon Dioxide to Methanol[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2024-02-02
3. DOI Zhang, Lin,雷鸣,Cao, Zexing
Hydroboration Reduction of CO2 Catalyzed by a Doubly Reduced Arylborane: DFT Insight into Double Active-Site and CO2 Self-Promoting Single Active-Site Mechanisms and Counterion Effects[期刊论文]，ACS Catalysis，2023-12-19
4. DOI Yunfan Yue,Tian Ma,Yaqi Zhao,Xiaofan Shi,Yanhui Tang,蒲敏,雷鸣
The Theoretical Design of Manganese Catalysts with Si-N-Si-C-Si-C Six-membered Ring Core-based Bowl-shaped Quadridentate Ligand for the Hydrogenation of C=O/C=N Bonds[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-09-27
5. DOI Haohao Wang,Caiwei Yue,Jirui Du,蒲敏,雷鸣
First Principles Study on the Mechanism of Nitrobenzene Hydrogenation by a Ni1/CeO2-x(111) Single-Atom Catalyst[期刊论文]，Journal of Physical Chemistry C，2023-08-31
6. DOI Xiangling Luo,李哲伟,Yuzhen Zheng,Yueping Lin,Huangfeng Jiang,Lukas J. Goo？en,雷鸣,Liangbin Huang
Ligand-Enabled ortho-Arylation of (hetero)Aromatic Acids with 2,6-Disubstituted Aryl Halides[期刊论文]，ACS Catal.，2023-08-30
7. DOI Zhenli Luo,Zhewei Li,Haoqiang Zhao,Ji Yang,Lijin Xu,雷鸣,Qinghua Fan,Patrick J. Walsh
Borane-Catalyzed Tandem Cyclization/Hydrosilylation Towards Enantio- and Diastereoselective Construction of trans-2,3-Disubstituted-1,2,3,4-Tetrahydroquinoxalines[期刊论文]，Angewandte Chemie-International Edition，2023-08-07
8. DOI Chen, Ziqiang,Qi, Hexiang,王好好,岳彩巍,刘阳秋,杨作银,蒲敏,雷鸣
The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-07-19
9. DOI Yulan Dai,Zhewei Li,蒲敏,雷鸣
Understanding the Mechanism and Selectivity of 1,1-Diborylalkanes from Alkenes Catalyzed by Zirconium Complex[期刊论文]，INORGANIC CHEMISTRY，2023-07-10
10. DOI Ali, Qaim,李哲伟,张林,骆宸光,蒲敏,雷鸣
DFT Mechanistic Investigation on Manganese Pincer Complex Catalysed Cross-Coupling of Methanol with Benzyl Alcohol to Afford Methyl Benzoate[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2023-06-22
11. DOI 金登雨,Xu, Jinjiang,Zhang, Haobin,雷鸣,Sun, Jie
Comparative Study of Experiments and Calculations on the Guest Molecules' Escaping Mechanism of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2023-06-12
12. DOI 温静,Zhewei Li,Yanhui Tang,蒲敏,雷鸣
Mechanistic Insight of Amides Formation from Aryl Epoxides and Amines Catalyzed by Ruthenium Pincer Complexes: A DFT Study[期刊论文]，DALTON TRANSACTIONS，2023-05-19
13. DOI Bin Wang,荣春英,雷鸣,Shubin Liu,Frank De Proft
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex[期刊论文]，INORGANIC CHEMISTRY，2023-05-15
14. DOI 刘阳秋,祁鹤翔,雷鸣
Improved Elastic Image Pair Method for Finding Transition States[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2023-04-25
15. DOI 张培焕,Zhu, Yue,Li, Zhewei,王珞聪,岳彩巍,雷鸣,蒲敏
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
16. DOI Jiang, Kai,王好好,Xie, Yi,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Remote-Group-Assisted Facile Oxidative Arylation of Furans and Pyrroles[期刊论文]，ACS Catalysis，2023-03-17
17. DOI 戴玉兰,Yuan, Binfang,李哲伟,张林,李龙飞,蒲敏,雷鸣
Density Functional Theory Study on the H2-Acceptorless Dehydrogenative Boration of Alkenes Catalyzed by a Zirconium Complex[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-12-16
18. DOI 马雪璐,李蒙,雷鸣
三核过渡金属配合物在催化反应中的研究进展[期刊论文]，化学学报，2022-12-06
19. DOI Ali, Qaim,陈永勇,张瑞雪,李哲伟,唐艳辉,蒲敏,雷鸣
The Origin of Stereoselectivity in the Hydrogenation of Oximes Catalyzed by Iridium Complexes: A DFT Mechanistic Study[期刊论文]，MOLECULES，2022-11-30
20. DOI 岳彩巍,王珞聪,王好好,杜吉瑞,雷鸣,蒲敏
First-Principles Study on the Electrocatalytic Oxygen Evolution Reaction on the (110) Surfaces of Layered Double Hydroxides[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2022-11-03
21. DOI 刘雪慧,王好好,李伟丹,陈佳雯,房嘉琪,Yan, Xiaoying,Mi, Shuo,洪崧,雷鸣,殷雄,Bai, Lu,Guo, Yanjun,Xu, Rui,Cheng, Zhihai,汪乐余
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
22. DOI Zhu, Baiyao,李哲伟,Chen, Fulin,Xiong, Wenfang,Tan, Xiaobin,雷鸣,Wu, Wanqing,Jiang, Huanfeng
Palladium-catalyzed oxidative Heck reaction of non-activated alkenes directed by fluorinated alcohol[期刊论文]，Chemical Communications，2022-10-20
23. DOI Lulu Zhang,Caiwei Yue,Lin Zhang,Peihuan Zhang,Luocong Wang,雷鸣,蒲敏
A DFT Study on the Isomerization Mechanism of Azobenzene Derivatives on Silicon Substrate[期刊论文]，New Journal of Chemistry，2022-10-19
24. DOI Li, Meng,张瑞雪,Gao, Qiushan,Jiang, Huanfeng,雷鸣,Wu, Wanqing
Divergent Synthesis of Fused Tetracyclic Heterocycles from Diarylalkynes Enabled by the Selective Insertion of Isocyanide[期刊论文]，Angewandte Chemie - International Edition，2022-10-17
25. DOI 张培焕,李哲伟,刘阳秋,史福兴,王珞聪,蒲敏,雷鸣
Hydride Relay Exchange Mechanism for the Heterocyclic C-H Arylation of Benzofuran and Benzothiophene Catalyzed by Pd Complexes[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-10-07
26. DOI Ding, Yangming,Guo, Tenglong,李哲伟,Zhang, Bo,Kühn, Fritz E.,Liu, Chang,Zhang, Jian,Xu, Dezhu,雷鸣,Zhang, Tao,Li, Changzhi
Transition-Metal-Free Synthesis of Functionalized Quinolines by Direct Conversion of β-O-4 Model Compounds[期刊论文]，Angewandte Chemie-International Edition，2022-09-19
27. DOI 王好好,史福兴,蒲敏,雷鸣
Theoretical Study on Nitrobenzene Hydrogenation by N-Doped Carbon-Supported Late Transition Metal Single-Atom Catalysts[期刊论文]，ACS Catalysis，2022-09-16
28. DOI 刘新原,史福兴,金超超,Liu, Binbin,雷鸣,谭嘉靖
Stereospecific synthesis of monofluoroalkenes and their deuterated analogues via Ag-catalyzed decarboxylation[期刊论文]，Journal of Catalysis，2022-09-01
29. DOI 史福兴,Ren, Xiaochuan,王好好,蒲敏,刘力,雷鸣
Neutral Phosphine-Sulfonate Pd Complex-Catalyzed Copolymerization of 2-Methoxystyrene and Ethylene Polar Monomers: A DFT Mechanistic Study[期刊论文]，ACS Applied Polymer Materials，2022-08-12
30. DOI 刘阳秋,祁鹤翔,雷鸣
Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2022-08-09
31. DOI 李哲伟,张会丽,谭天伟,雷鸣
The mechanism of direct reductive amination of aldehyde and amine with formic acid catalyzed by boron trifluoride complexes: insights from a DFT study[期刊论文]，Catalysis Science and Technology，2022-08-02
32. DOI 盛晨曦,李哲伟,蒲敏,雷鸣
Theoretical study on the mechanism of the benzaldehyde deoxyfluorination by sulfuryl fluoride and tetramethylammonium fluoride[期刊论文]，Journal of Physical Organic Chemistry，2022-08-01
33. DOI 付宏远,姚嘉,张铭,薛灵伟,周秋菊,李尚宇,雷鸣,孟磊,张志国,李永舫
Low-cost synthesis of small molecule acceptors makes polymer solar cells commercially viable[期刊论文]，Nature Communications，2022-06-27
34. DOI 祁鹤翔,刘阳秋,蒲敏,杨作银,李亚平,雷鸣
分子点群虚拟仿真实验的建设与实践[期刊论文]，化学教育(中英文)，2022-06-18
35. DOI Zhang, Bo,Guo, Tenglong,李哲伟,Kuhn, Fritz E.,雷鸣,Zhao, Zongbao K.,Xiao, Jianliang,Zhang, Jian,Xu, Dezhu,Zhang, Tao,Li, Changzhi
Transition-metal-free synthesis of pyrimidines from lignin beta-O-4 segments via a one-pot multi-component reaction[期刊论文]，NATURE COMMUNICATIONS，2022-06-11
36. DOI 周颖,赵娅琦,史晓帆,唐艳辉,杨作银,蒲敏,雷鸣
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
37. DOI 赵娅琦,张林,唐艳辉,蒲敏,雷鸣
A theoretical study of asymmetric ketone hydrogenation catalyzed by Mn complexes: from the catalytic mechanism to the catalyst design[期刊论文]，Physical Chemistry Chemical Physics，2022-05-09
38. DOI 雷鸣,陈星钰,王英杰,张丽然,朱红,王智谦
Homogeneous and Heterogeneous Pd-Catalyzed Selective C-PActivation and Transfer Hydrogenation for?Group-Substitution?Synthesis of Trivalent Phosphines[期刊论文]，ORGANIC LETTERS，2022-04-22
39. DOI 王珞聪,李哲伟,岳彩巍,张培焕,雷鸣,蒲敏
电场下偶氮苯衍生物分子顺反异构化反应机理的理论研究[期刊论文]，化学学报，2022-04-12
40. DOI 张林,赵娅琦,刘翀,蒲敏,雷鸣,曹泽星
Hydroboration of CO2to Methyl Boronate Catalyzed by a Manganese Pincer Complex: Insights into the Reaction Mechanism and Ligand Effect[期刊论文]，Inorganic Chemistry，2022-04-11
41. DOI 祁鹤翔,王智鹏,彭鼎,韩丰泽,刘阳秋,蒲敏,杨作银,李亚平,安赛,雷鸣
分子点群的判别[期刊论文]，大学化学.，2022-03-16
42. DOI Quan, Zhuo,Mao, Li,Tang, Yi-Qi,雷鸣,Zhu, Ben-Zhan,Liu, Ya-Jun
Mechanistic Investigation of H2O2-dependent Chemiluminescence from Tetrabromo-1,4-Benzoquinone[期刊论文]，CHEMPHYSCHEM，2022-03-04
43. DOI 王锐,刘阳秋,王骞阅,张林,李哲伟,蒲敏,雷鸣
The Role of AQ in the Regioselectivity of Strong Alkyl C-O Bond Activation Catalyzed by Pd(OAc)2: A Density Functional Theory Mechanistic Study[期刊论文]，Inorganic Chemistry，2021-12-06
44. DOI 刘翀,张林,李龙飞,雷鸣
Theoretical Design of a Catalyst with Both High Activity and Selectivity in C-H Borylation[期刊论文]，Journal of Organic Chemistry，2021-12-03
45. DOI 史福兴,李晓林,Bai, Yinna,李龙飞,蒲敏,刘力,雷鸣
Mechanism of the Zinc Dithiocarbamate-Activated Rubber Vulcanization Process: A Density Functional Theory Study[期刊论文]，ACS APPLIED POLYMER MATERIALS，2021-10-08
46. DOI 赵娅琦,张林,Li, Zhewei,蒲敏,雷鸣
Theoretical study on the mechanism of C-N and C-C coupling to form indole catalyzed by Pd(OAc)(2)[期刊论文]，MOLECULAR CATALYSIS，2021-10-01
47. DOI 赵娅琦,张林,蒲敏,雷鸣
A phosphine-free Mn(i)-NNS catalyst for asymmetric transfer hydrogenation of acetophenone: a theoretical prediction[期刊论文]，DALTON TRANSACTIONS，2021-09-14
48. DOI 王好好,张尉,刘阳秋,蒲敏,雷鸣
First-Principles Study on the Mechanism of Nitrobenzene Reduction to Aniline Catalyzed by a N-Doped Carbon-Supported Cobalt Single-Atom Catalyst[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-09
49. DOI 鄢红,杨屹,王涛,陆军,何静,陈咏梅,许家喜,白守礼,王志华,雷鸣
着力优化育人要素，全面促进应用化学一流本科专业建设[期刊论文]，大学化学.，2021-09-08
50. DOI Zhu, Ling,张林,杨作银,蒲敏,雷鸣
A theoretical study of the hydroboration of alpha,beta-unsaturated carbonyl compounds catalyzed by a metal-free complex and subsequent C-C coupling with acetonitrile[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-08-21
51. DOI 张培焕,张玉凤,Li, Zhewei,高阳,雷鸣,杨作银,蒲敏
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
52. DOI Ping, Yifan,王锐,王骞阅,Chang, Taiwei,Huo, Jingfeng,雷鸣,Wang, Jianbo
Synthesis of Alkenylboronates from N-Tosylhydrazones through Palladium-Catalyzed Carbene Migratory Insertion[期刊论文]，JOURNAL OF THE AMERICAN CHEMICAL SOCIETY，2021-07-07
53. DOI Xu, Xin,张林,Zhao, Haoqiang,Pan, Yixiao,Li, Jiajie,Luo, Zhenli,Han, Jiahong,徐立进,雷鸣
Cobalt(III)-Catalyzed Regioselective C6 Olefination of 2-Pyridones Using Alkynes: Olefination/Directing Group Migration and Olefination[期刊论文]，ORGANIC LETTERS，2021-06-18
54. DOI Xu, Xin,骆宸光,Zhao, Haoqiang,Pan, Yixiao,Zhang, Xin,Li, Jiajie,徐立进,雷鸣,Walsh, Patrick J.
Rhodium(III)-Catalyzed C-H Bond Functionalization of 2-Pyridones with Alkynes: Switchable Alkenylation, Alkenylation/Directing Group Migration and Rollover Annulation[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2021-06-16
55. DOI 陶玉婷,徐金江,Zhang, Haobin,Huang, Shiliang,杨作银,孙杰,雷鸣
An experimental and theoretical study on the growth of plate-like beta-HMX crystals in the hydroxylated interlayer space[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2021-06-07
56. DOI 陶玉婷,徐金江,Zhang, Haobin,杨作银,雷鸣,孙杰
Thermal Expansion Characteristic of a New Type High Energy Explosive ICM-101[期刊论文]，含能材料，2021-05-12
57. DOI 张林,蒲敏,雷鸣
Hydrogenation of CO2 to methanol catalyzed by a manganese pincer complex: insights into the mechanism and solvent effect[期刊论文]，DALTON TRANSACTIONS，2021-04-21
58. DOI 张林,Wang, Bin,赵娅琦,蒲敏,Liu, Shubin,雷鸣
Using Bases as Initiators to Isomerize Allylic Alcohols: Insights from Density Functional Theory Studies[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2021-03-25
59. DOI 王菊,雷鸣,Wang, Zhaoxu,Liu, Yusheng,Zhuang, Wenchang,Zhu, Wenyou
Methanol oxidation over rutile Au-1@TiO2 catalyst: Importance of facets and oxygen vacancy[期刊论文]，APPLIED SURFACE SCIENCE，2021-03-15
60. DOI Li, Zhe-wei,张林,蒲敏,雷鸣
Mechanistic Understanding of Base-Catalyzed Aldimine/Ketoamine Condensations: An Old Story and A New Model[期刊论文]，ASIAN JOURNAL OF ORGANIC CHEMISTRY，2021-03-01
61. DOI 白林涛,王明坤,张林,赵美君,任美,Zheng, Lirong,雷鸣,申鹤云
Poly(Amino Acid) Coordination Nanoparticle as a Potent Sonosensitizer for Cancer Therapy[期刊论文]，ACS Applied Bio Materials，2021-01-18
62. DOI 邹寅星,李哲伟,刘阳秋,雷鸣
重叠式乙烷构象是过渡态吗[期刊论文]，化学教育(中英文)，2021-01-18
63. DOI Ding, Ruiqin,Xu, Jinjiang,Tao, Yuting,Sun, Jie,雷鸣
Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2020-08-06
64. DOI Xiong, Wenfang,Shi, Fuxing,Cheng, Ruixiang,Zhu, Baiyao,Wang, Lu,Chen, Pengquan,Lou, Hongming,Wu, Wanqing,Qi, Chaorong,雷鸣,Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
65. DOI Hu Xiao-Min,Yu Yu-Tian,Chen Si-Yu,雷鸣,蒲敏,杨作银
Hydrogen Bond Cooperative Effect in Single Cage Water Clusters[期刊论文]，CHINESE JOURNAL OF STRUCTURAL CHEMISTRY，2020-07-16
66. DOI Wang, Kun,Zhang, Lin,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
67. DOI Wang, Kun,张林,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
68. DOI Liu, Yangqiu,Yue, Xin,Li, Longfei,Li, Zhewei,Zhang, Lin,蒲敏,杨作银,Wang, Chao,Xiao, Jianliang,雷鸣
Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation[期刊论文]，INORGANIC CHEMISTRY，2020-06-15
69. DOI 张尉,蒲敏,雷鸣
Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation[期刊论文]，LANGMUIR，2020-06-02
70. DOI Li Zhewei,Wang Qianyue,蒲敏,杨作银,雷鸣
Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation[期刊论文]，ACTA CHIMICA SINICA，2020-05-15
71. DOI 雷鸣,杨作银,李亚平,蒲敏
基于“1 + 2”模式的结构化学课程在线教学实践[期刊论文]，大学化学，2020-04-17
72. DOI Luo, Chenguang,Li, Longfei,Yue, Xin,Li, Pengjie,Zhang, Lin,杨作银,蒲敏,Cao, Zexing,雷鸣
pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(eta(6)-arene)RuCl(kappa(2)-N,N-dmobpy)](+) complex: a DFT mechanistic understanding[期刊论文]，RSC ADVANCES，2020-03-15
73. DOI Luo, Chenguang,Lu, Lin,Zhang, Lin,杨作银,蒲敏,Yin, Biaolin,雷鸣
Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study[期刊论文]，THEORETICAL CHEMISTRY ACCOUNTS，2020-03-01
74. DOI 胡晓敏,余雨田,陈思宇,雷鸣,蒲敏,杨作银
单笼形水分子簇中心水分子对类型关系[期刊论文]，分子科学学报，2020-02-27
75. DOI 刘晓亮,刘阳秋,雷鸣
结构化学课程中基于网络的点群演示教学平台PGLite的开发与实践[期刊论文]，大学化学.，2020-02-19
76. DOI Wang, Ju,张尉,Zhu, Wenyou,Zhuang, Wenchang,雷鸣
Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation[期刊论文]，MOLECULAR CATALYSIS，2020-02-01
77. DOI 丁瑞琴,陶玉婷,徐金江,孙杰,雷鸣
含能化合物CL-20及其共晶的结构及性能研究进展[期刊论文]，武汉大学学报(理学版)，2020-01-02
78. DOI Cao, Zheliang,张尉,Ding, Ruiqin,Wang, Ju,蒲敏,杨作银,雷鸣
The reaction paths of CH2O decomposition on CuO(111) surface: A DFT study[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2020-01-01
79. DOI 张林,张尉,岳鑫,李鹏杰,杨作银,蒲敏,雷鸣
锰配合物催化CO2加氢生成甲酸的理论研究[期刊论文]，高等学校化学学报，2019-09-10
80. DOI Yue, Xin,Li, Longfei,Li, Pengjie,Luo, Chenguang,蒲敏,杨作银,雷鸣
A Computational Study on Iridium-Catalyzed Production of Acetic Acid from Ethanol and Water Solution[期刊论文]，CHINESE JOURNAL OF CHEMISTRY，2019-09-01
81. DOI Wang, Qianyue,Li, Longfei,Li, Pengjie,Yue, Xin,杨作银,蒲敏,雷鸣
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
82. DOI Xiao, Miao,Yue, Xin,Xu, Ruirui,Tang, Weijun,Xue, Dong,Li, Chaoqun,雷鸣,Xiao, Jianliang,Wang, Chao
Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-07-29
83. DOI 徐庆红,李嘉梁,Teng, Xu,Yue, Xin,雷鸣,Ding, Caifeng,吕超
Rapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes[期刊论文]，CHEMICAL COMMUNICATIONS，2019-05-14
84. DOI 张尉,Ma, Xue-Lu,Xiao, Hai,雷鸣,雷鸣,Li, Jun
Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2019-05-09
85. DOI Lu, Lin,Luo, Chenguang,Peng, Hui,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Access to Polycyclic Sulfonyl Indolines via Fe(II)-Catalyzed or UV-Driven Formal [2+2+1] Cyclization Reactions of N-((1H-indol-3-yl)methyl)propiolamides with NaHSO3[期刊论文]，ORGANIC LETTERS，2019-04-19
86. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
87. DOI 余雨田,胡晓敏,雷鸣,杨作银
笼形水合簇中水分子对与氢键能的关系[期刊论文]，北京化工大学学报(自然科学版)，2018-11-20
88. DOI Li, Pengjie,Li, Longfei,Yue, Xin,Wang, Qianyue,蒲敏,杨作银,雷鸣
1,2 addition or cycloaddition of allenes by a dihafnium mu-Nitrido complex? A DFT study[期刊论文]，JOURNAL OF ORGANOMETALLIC CHEMISTRY，2018-11-01
89. DOI 马嘉苓,张慧,张欣,雷鸣
3D-QSAR Studies of D3R Antagonists and 5-HT1AR Agonists[期刊论文]，J. Mol. Graph. Model，2018-10-12
90. DOI Zhang, Pei-Huan,蒲敏,Gao, Yang,Zhang, Yu-Feng,雷鸣,杨作银
Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2018-10-04
91. DOI Li, Longfei,雷鸣,刘力,Xie, Yaoming,Schaefer, Henry F., III
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst[期刊论文]，INORGANIC CHEMISTRY，2018-08-06
92. DOI Li, Longfei,雷鸣,Xie, Yaoming,Weinhold, Frank,Schaefer, Henry F., III
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its AI, Ga, In, and TI Congeners1[期刊论文]，INORGANIC CHEMISTRY，2018-07-02
93. DOI Li, Pengjie,Xi, Yanxia,Li, Longfei,李慧,Sun, Wen-Hua,雷鸣
A DFT study on ring-opening polymerization of epsilon-caprolactone initiated by Mg and Al complexes[期刊论文]，INORGANICA CHIMICA ACTA，2018-05-24
94. DOI Wang, Chen-Xi,蒲敏,Zhang, Pei-Huan,Gao, Yang,杨作银,雷鸣
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
95. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki-Miyaura交叉偶联反应催化活性组分生成机理的理论研究1[期刊论文]，高等学校化学学报，2018-04-10
96. DOI Li, Longfei,Zhu, Huajie,刘力,Song, Datong,雷鸣
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
97. DOI Li, Zhe,雷鸣,陈娟,祁欣
An All-Solid-State Polymeric Membrane chloride ion-selective Electrode with Nanowires poly(3,4-ethylenedioxythiophene) as Solid Contact[期刊论文]，INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE，2017-12-01
98. DOI 雷鸣
加强国际合作,促进计算金属有机催化学科发展[期刊论文]，国际学术动态，2017-10-15
99. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane : Characteristic Features of Iron Species[期刊论文]，ORGANOMETALLICS，2017-09-25
100. DOI Li, Longfei,雷鸣,Xie, Yaoming,Schaefer, Henry F., III,Chen, Bo,Hoffmann, Roald
Stabilizing a different cyclooctatetraene stereoisomer[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2017-09-12
101. DOI 王海霞,王婉秦,蒲敏,雷鸣,王向东
翻转课堂模式在光度法测铁实验教学中的应用[期刊论文]，大学化学，2017-06-28
102. DOI 岳鑫,李慧,雷鸣
Ti碳氧化物催化氮氮裂解的密度泛函理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
103. DOI 李鹏杰,席艳霞,李慧,雷鸣
镁/铝格氏试剂催化ε-己内酯开环聚合的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
104. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki–Miyaura交叉偶联反应的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
105. DOI 李龙飞,雷鸣
金属-底物协同作用——Ru配合物催化氨基乙醇脱氢酰胺化反应的理论研究[会议论文]，第十三届全国量子化学会议报告集，2017-06-08
106. DOI 王晶,He, Lei,Nan, Feng,Wang, Fan,Li, Hongming,雷鸣,Li, Longfei,黄启谷,杨万泰
Investigation on terpolymer of ethylene/propylene/omega-bromo-alpha-olefins catalyzed by titanium complexes[期刊论文]，JOURNAL OF MATERIALS SCIENCE，2017-05-01
107. DOI Ma,Xuelu,雷鸣
Mechanistic Insights into the Directed Hydrogenation of Hydroxylated Alkene Catalyzed by Bis(phosphine)cobalt Dialkyl Complexes[期刊论文]，Journal of Organic Chemistry，2017-03-03
108. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species[期刊论文]，Organometallics，2017-01-01
109. DOI Xi, Yanxia,Rajendran, Natesan Mannangatti,Zhang, Wenjuan,Sun, Yang,雷鸣,Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
110. DOI 李辉,Ma, Xuelu,Zhang, Baohua,雷鸣
DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C-H Activation/Carbocyclization Catalyzed by Pd(OAc)(2)[期刊论文]，ORGANOMETALLICS，2016-10-10
111. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
112. DOI 李慧,雷鸣
Pd（OAc） 2 催化芳基联烯发生二聚反应的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
113. DOI 李龙飞,雷鸣
硼基钴与硼基镍化合物在烯烃氢化反应中的活性差别的机理研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
114. DOI 马雪璐,雷鸣,Paul J.Chirik,何静
廉价金属配合物催化氢化烯烃反应机理的理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
115. DOI 李龙飞,雷鸣
双膦双胺过渡金属钌催化剂催化不对称酮氢化的反应机理及三维构效模型研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
116. DOI 张益伟,雷鸣
Ti氮氧化物中C-N键生成和C-O键裂解机理的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
117. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
118. DOI Li,Longfei,Pan,Yuhui,雷鸣
The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: Insights from a 3D-QSSR and DFT study[期刊论文]，Catalysis Science and Technology，2016-01-01
119. DOI 段新丽,张欣,雷鸣
烟酰胺酶催化水解脱氨反应的QM/MM分子动力学模拟[期刊论文]，高等学校化学学报，2015-12-10
120. DOI 李龙飞,摆音娜,雷鸣,刘力
橡胶硫化促进剂的研究进展[期刊论文]，化学进展，2015-10-16
121. DOI Ma, Xuelu,雷鸣,Liu, Shubin
Homolytic or Heterolytic Dihydrogen Splitting with Ditantalum/Dizirconium Dinitrogen Complexes? A Computational Study[期刊论文]，ORGANOMETALLICS，2015-04-13
122. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
123. DOI 雷鸣,Pan, Yuhui,Ma, Xuelu
The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions[期刊论文]，EUROPEAN JOURNAL OF INORGANIC CHEMISTRY，2015-02-01
124. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
125. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
126. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Bent and planar structures of it mu-eta(2):eta(2)-N-2 dinuclear early transition metal complexes[期刊论文]，DALTON TRANSACTIONS，2014-08-14
127. DOI 马雪璐,唐艳辉,雷鸣
Bent and Planar Structures of μ-η 2 ,η 2 -N 2 Binuclear Early Transition-Metal Complexes[会议论文]，中国化学会第十二届全国量子化学会议论文摘要集，2014-06-12
128. DOI 赵丽君,雷鸣
甲状腺结合前清蛋白的理论研究[期刊论文]，化学进展，2013-12-25
129. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
130. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
131. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
132. DOI Zhao LiJun,Zhang LiangRen,雷鸣
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
133. DOI Ma Xuelu,雷鸣
Dinitrogen Fixation Activated by Binuclear Transition-Metal Complexes[期刊论文]，PROGRESS IN CHEMISTRY，2013-08-24
134. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
135. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
136. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
137. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
138. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01
139. DOI Feng, Xin-Tian,Yu, Jian-Guo,雷鸣,Fang, Wei-Hai,Liu, Shubin
Toward understanding metal-binding specificity of porphyrin: A conceptual density functional theory study[期刊论文]，Journal of Physical Chemistry B，2009-10-08
140. DOI Wang, Guilei,Chen, Yue,Zhong, Aiguo,杜洪光,雷鸣
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05
141. DOI Yang, Mingfeng,雷鸣,Yordanov, Boyan,Huo, Shuanghong
Peptide plane can flip in two opposite directions: Implication in amyloid formation of transthyretin[期刊论文]，Journal of Physical Chemistry B，2006-03-30

[+][-]2020年

1. DOI Liu, Jingjiao,张娇娇,Sun, Min,Li, Hongming,雷鸣,黄启谷
Ethylene/Polar Monomer Copolymerization by [N, P] Ti Complexes: Polar Copolymers with Ultrahigh-Molecular Weight[期刊论文]，ACS OMEGA，2024-03-19
2. DOI 唐艳辉,蒲敏,雷鸣
Cyclopentadienone Diphosphine Ruthenium Complex: A Designed Catalyst for the Hydrogenation of Carbon Dioxide to Methanol[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2024-02-02
3. DOI Zhang, Lin,雷鸣,Cao, Zexing
Hydroboration Reduction of CO2 Catalyzed by a Doubly Reduced Arylborane: DFT Insight into Double Active-Site and CO2 Self-Promoting Single Active-Site Mechanisms and Counterion Effects[期刊论文]，ACS Catalysis，2023-12-19
4. DOI Yunfan Yue,Tian Ma,Yaqi Zhao,Xiaofan Shi,Yanhui Tang,蒲敏,雷鸣
The Theoretical Design of Manganese Catalysts with Si-N-Si-C-Si-C Six-membered Ring Core-based Bowl-shaped Quadridentate Ligand for the Hydrogenation of C=O/C=N Bonds[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-09-27
5. DOI Haohao Wang,Caiwei Yue,Jirui Du,蒲敏,雷鸣
First Principles Study on the Mechanism of Nitrobenzene Hydrogenation by a Ni1/CeO2-x(111) Single-Atom Catalyst[期刊论文]，Journal of Physical Chemistry C，2023-08-31
6. DOI Xiangling Luo,李哲伟,Yuzhen Zheng,Yueping Lin,Huangfeng Jiang,Lukas J. Goo？en,雷鸣,Liangbin Huang
Ligand-Enabled ortho-Arylation of (hetero)Aromatic Acids with 2,6-Disubstituted Aryl Halides[期刊论文]，ACS Catal.，2023-08-30
7. DOI Zhenli Luo,Zhewei Li,Haoqiang Zhao,Ji Yang,Lijin Xu,雷鸣,Qinghua Fan,Patrick J. Walsh
Borane-Catalyzed Tandem Cyclization/Hydrosilylation Towards Enantio- and Diastereoselective Construction of trans-2,3-Disubstituted-1,2,3,4-Tetrahydroquinoxalines[期刊论文]，Angewandte Chemie-International Edition，2023-08-07
8. DOI Chen, Ziqiang,Qi, Hexiang,王好好,岳彩巍,刘阳秋,杨作银,蒲敏,雷鸣
The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-07-19
9. DOI Yulan Dai,Zhewei Li,蒲敏,雷鸣
Understanding the Mechanism and Selectivity of 1,1-Diborylalkanes from Alkenes Catalyzed by Zirconium Complex[期刊论文]，INORGANIC CHEMISTRY，2023-07-10
10. DOI Ali, Qaim,李哲伟,张林,骆宸光,蒲敏,雷鸣
DFT Mechanistic Investigation on Manganese Pincer Complex Catalysed Cross-Coupling of Methanol with Benzyl Alcohol to Afford Methyl Benzoate[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2023-06-22
11. DOI 金登雨,Xu, Jinjiang,Zhang, Haobin,雷鸣,Sun, Jie
Comparative Study of Experiments and Calculations on the Guest Molecules' Escaping Mechanism of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2023-06-12
12. DOI 温静,Zhewei Li,Yanhui Tang,蒲敏,雷鸣
Mechanistic Insight of Amides Formation from Aryl Epoxides and Amines Catalyzed by Ruthenium Pincer Complexes: A DFT Study[期刊论文]，DALTON TRANSACTIONS，2023-05-19
13. DOI Bin Wang,荣春英,雷鸣,Shubin Liu,Frank De Proft
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex[期刊论文]，INORGANIC CHEMISTRY，2023-05-15
14. DOI 刘阳秋,祁鹤翔,雷鸣
Improved Elastic Image Pair Method for Finding Transition States[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2023-04-25
15. DOI 张培焕,Zhu, Yue,Li, Zhewei,王珞聪,岳彩巍,雷鸣,蒲敏
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
16. DOI Jiang, Kai,王好好,Xie, Yi,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Remote-Group-Assisted Facile Oxidative Arylation of Furans and Pyrroles[期刊论文]，ACS Catalysis，2023-03-17
17. DOI 戴玉兰,Yuan, Binfang,李哲伟,张林,李龙飞,蒲敏,雷鸣
Density Functional Theory Study on the H2-Acceptorless Dehydrogenative Boration of Alkenes Catalyzed by a Zirconium Complex[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-12-16
18. DOI 马雪璐,李蒙,雷鸣
三核过渡金属配合物在催化反应中的研究进展[期刊论文]，化学学报，2022-12-06
19. DOI Ali, Qaim,陈永勇,张瑞雪,李哲伟,唐艳辉,蒲敏,雷鸣
The Origin of Stereoselectivity in the Hydrogenation of Oximes Catalyzed by Iridium Complexes: A DFT Mechanistic Study[期刊论文]，MOLECULES，2022-11-30
20. DOI 岳彩巍,王珞聪,王好好,杜吉瑞,雷鸣,蒲敏
First-Principles Study on the Electrocatalytic Oxygen Evolution Reaction on the (110) Surfaces of Layered Double Hydroxides[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2022-11-03
21. DOI 刘雪慧,王好好,李伟丹,陈佳雯,房嘉琪,Yan, Xiaoying,Mi, Shuo,洪崧,雷鸣,殷雄,Bai, Lu,Guo, Yanjun,Xu, Rui,Cheng, Zhihai,汪乐余
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
22. DOI Zhu, Baiyao,李哲伟,Chen, Fulin,Xiong, Wenfang,Tan, Xiaobin,雷鸣,Wu, Wanqing,Jiang, Huanfeng
Palladium-catalyzed oxidative Heck reaction of non-activated alkenes directed by fluorinated alcohol[期刊论文]，Chemical Communications，2022-10-20
23. DOI Lulu Zhang,Caiwei Yue,Lin Zhang,Peihuan Zhang,Luocong Wang,雷鸣,蒲敏
A DFT Study on the Isomerization Mechanism of Azobenzene Derivatives on Silicon Substrate[期刊论文]，New Journal of Chemistry，2022-10-19
24. DOI Li, Meng,张瑞雪,Gao, Qiushan,Jiang, Huanfeng,雷鸣,Wu, Wanqing
Divergent Synthesis of Fused Tetracyclic Heterocycles from Diarylalkynes Enabled by the Selective Insertion of Isocyanide[期刊论文]，Angewandte Chemie - International Edition，2022-10-17
25. DOI 张培焕,李哲伟,刘阳秋,史福兴,王珞聪,蒲敏,雷鸣
Hydride Relay Exchange Mechanism for the Heterocyclic C-H Arylation of Benzofuran and Benzothiophene Catalyzed by Pd Complexes[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-10-07
26. DOI Ding, Yangming,Guo, Tenglong,李哲伟,Zhang, Bo,Kühn, Fritz E.,Liu, Chang,Zhang, Jian,Xu, Dezhu,雷鸣,Zhang, Tao,Li, Changzhi
Transition-Metal-Free Synthesis of Functionalized Quinolines by Direct Conversion of β-O-4 Model Compounds[期刊论文]，Angewandte Chemie-International Edition，2022-09-19
27. DOI 王好好,史福兴,蒲敏,雷鸣
Theoretical Study on Nitrobenzene Hydrogenation by N-Doped Carbon-Supported Late Transition Metal Single-Atom Catalysts[期刊论文]，ACS Catalysis，2022-09-16
28. DOI 刘新原,史福兴,金超超,Liu, Binbin,雷鸣,谭嘉靖
Stereospecific synthesis of monofluoroalkenes and their deuterated analogues via Ag-catalyzed decarboxylation[期刊论文]，Journal of Catalysis，2022-09-01
29. DOI 史福兴,Ren, Xiaochuan,王好好,蒲敏,刘力,雷鸣
Neutral Phosphine-Sulfonate Pd Complex-Catalyzed Copolymerization of 2-Methoxystyrene and Ethylene Polar Monomers: A DFT Mechanistic Study[期刊论文]，ACS Applied Polymer Materials，2022-08-12
30. DOI 刘阳秋,祁鹤翔,雷鸣
Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2022-08-09
31. DOI 李哲伟,张会丽,谭天伟,雷鸣
The mechanism of direct reductive amination of aldehyde and amine with formic acid catalyzed by boron trifluoride complexes: insights from a DFT study[期刊论文]，Catalysis Science and Technology，2022-08-02
32. DOI 盛晨曦,李哲伟,蒲敏,雷鸣
Theoretical study on the mechanism of the benzaldehyde deoxyfluorination by sulfuryl fluoride and tetramethylammonium fluoride[期刊论文]，Journal of Physical Organic Chemistry，2022-08-01
33. DOI 付宏远,姚嘉,张铭,薛灵伟,周秋菊,李尚宇,雷鸣,孟磊,张志国,李永舫
Low-cost synthesis of small molecule acceptors makes polymer solar cells commercially viable[期刊论文]，Nature Communications，2022-06-27
34. DOI 祁鹤翔,刘阳秋,蒲敏,杨作银,李亚平,雷鸣
分子点群虚拟仿真实验的建设与实践[期刊论文]，化学教育(中英文)，2022-06-18
35. DOI Zhang, Bo,Guo, Tenglong,李哲伟,Kuhn, Fritz E.,雷鸣,Zhao, Zongbao K.,Xiao, Jianliang,Zhang, Jian,Xu, Dezhu,Zhang, Tao,Li, Changzhi
Transition-metal-free synthesis of pyrimidines from lignin beta-O-4 segments via a one-pot multi-component reaction[期刊论文]，NATURE COMMUNICATIONS，2022-06-11
36. DOI 周颖,赵娅琦,史晓帆,唐艳辉,杨作银,蒲敏,雷鸣
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
37. DOI 赵娅琦,张林,唐艳辉,蒲敏,雷鸣
A theoretical study of asymmetric ketone hydrogenation catalyzed by Mn complexes: from the catalytic mechanism to the catalyst design[期刊论文]，Physical Chemistry Chemical Physics，2022-05-09
38. DOI 雷鸣,陈星钰,王英杰,张丽然,朱红,王智谦
Homogeneous and Heterogeneous Pd-Catalyzed Selective C-PActivation and Transfer Hydrogenation for?Group-Substitution?Synthesis of Trivalent Phosphines[期刊论文]，ORGANIC LETTERS，2022-04-22
39. DOI 王珞聪,李哲伟,岳彩巍,张培焕,雷鸣,蒲敏
电场下偶氮苯衍生物分子顺反异构化反应机理的理论研究[期刊论文]，化学学报，2022-04-12
40. DOI 张林,赵娅琦,刘翀,蒲敏,雷鸣,曹泽星
Hydroboration of CO2to Methyl Boronate Catalyzed by a Manganese Pincer Complex: Insights into the Reaction Mechanism and Ligand Effect[期刊论文]，Inorganic Chemistry，2022-04-11
41. DOI 祁鹤翔,王智鹏,彭鼎,韩丰泽,刘阳秋,蒲敏,杨作银,李亚平,安赛,雷鸣
分子点群的判别[期刊论文]，大学化学.，2022-03-16
42. DOI Quan, Zhuo,Mao, Li,Tang, Yi-Qi,雷鸣,Zhu, Ben-Zhan,Liu, Ya-Jun
Mechanistic Investigation of H2O2-dependent Chemiluminescence from Tetrabromo-1,4-Benzoquinone[期刊论文]，CHEMPHYSCHEM，2022-03-04
43. DOI 王锐,刘阳秋,王骞阅,张林,李哲伟,蒲敏,雷鸣
The Role of AQ in the Regioselectivity of Strong Alkyl C-O Bond Activation Catalyzed by Pd(OAc)2: A Density Functional Theory Mechanistic Study[期刊论文]，Inorganic Chemistry，2021-12-06
44. DOI 刘翀,张林,李龙飞,雷鸣
Theoretical Design of a Catalyst with Both High Activity and Selectivity in C-H Borylation[期刊论文]，Journal of Organic Chemistry，2021-12-03
45. DOI 史福兴,李晓林,Bai, Yinna,李龙飞,蒲敏,刘力,雷鸣
Mechanism of the Zinc Dithiocarbamate-Activated Rubber Vulcanization Process: A Density Functional Theory Study[期刊论文]，ACS APPLIED POLYMER MATERIALS，2021-10-08
46. DOI 赵娅琦,张林,Li, Zhewei,蒲敏,雷鸣
Theoretical study on the mechanism of C-N and C-C coupling to form indole catalyzed by Pd(OAc)(2)[期刊论文]，MOLECULAR CATALYSIS，2021-10-01
47. DOI 赵娅琦,张林,蒲敏,雷鸣
A phosphine-free Mn(i)-NNS catalyst for asymmetric transfer hydrogenation of acetophenone: a theoretical prediction[期刊论文]，DALTON TRANSACTIONS，2021-09-14
48. DOI 王好好,张尉,刘阳秋,蒲敏,雷鸣
First-Principles Study on the Mechanism of Nitrobenzene Reduction to Aniline Catalyzed by a N-Doped Carbon-Supported Cobalt Single-Atom Catalyst[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-09
49. DOI 鄢红,杨屹,王涛,陆军,何静,陈咏梅,许家喜,白守礼,王志华,雷鸣
着力优化育人要素，全面促进应用化学一流本科专业建设[期刊论文]，大学化学.，2021-09-08
50. DOI Zhu, Ling,张林,杨作银,蒲敏,雷鸣
A theoretical study of the hydroboration of alpha,beta-unsaturated carbonyl compounds catalyzed by a metal-free complex and subsequent C-C coupling with acetonitrile[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-08-21
51. DOI 张培焕,张玉凤,Li, Zhewei,高阳,雷鸣,杨作银,蒲敏
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
52. DOI Ping, Yifan,王锐,王骞阅,Chang, Taiwei,Huo, Jingfeng,雷鸣,Wang, Jianbo
Synthesis of Alkenylboronates from N-Tosylhydrazones through Palladium-Catalyzed Carbene Migratory Insertion[期刊论文]，JOURNAL OF THE AMERICAN CHEMICAL SOCIETY，2021-07-07
53. DOI Xu, Xin,张林,Zhao, Haoqiang,Pan, Yixiao,Li, Jiajie,Luo, Zhenli,Han, Jiahong,徐立进,雷鸣
Cobalt(III)-Catalyzed Regioselective C6 Olefination of 2-Pyridones Using Alkynes: Olefination/Directing Group Migration and Olefination[期刊论文]，ORGANIC LETTERS，2021-06-18
54. DOI Xu, Xin,骆宸光,Zhao, Haoqiang,Pan, Yixiao,Zhang, Xin,Li, Jiajie,徐立进,雷鸣,Walsh, Patrick J.
Rhodium(III)-Catalyzed C-H Bond Functionalization of 2-Pyridones with Alkynes: Switchable Alkenylation, Alkenylation/Directing Group Migration and Rollover Annulation[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2021-06-16
55. DOI 陶玉婷,徐金江,Zhang, Haobin,Huang, Shiliang,杨作银,孙杰,雷鸣
An experimental and theoretical study on the growth of plate-like beta-HMX crystals in the hydroxylated interlayer space[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2021-06-07
56. DOI 陶玉婷,徐金江,Zhang, Haobin,杨作银,雷鸣,孙杰
Thermal Expansion Characteristic of a New Type High Energy Explosive ICM-101[期刊论文]，含能材料，2021-05-12
57. DOI 张林,蒲敏,雷鸣
Hydrogenation of CO2 to methanol catalyzed by a manganese pincer complex: insights into the mechanism and solvent effect[期刊论文]，DALTON TRANSACTIONS，2021-04-21
58. DOI 张林,Wang, Bin,赵娅琦,蒲敏,Liu, Shubin,雷鸣
Using Bases as Initiators to Isomerize Allylic Alcohols: Insights from Density Functional Theory Studies[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2021-03-25
59. DOI 王菊,雷鸣,Wang, Zhaoxu,Liu, Yusheng,Zhuang, Wenchang,Zhu, Wenyou
Methanol oxidation over rutile Au-1@TiO2 catalyst: Importance of facets and oxygen vacancy[期刊论文]，APPLIED SURFACE SCIENCE，2021-03-15
60. DOI Li, Zhe-wei,张林,蒲敏,雷鸣
Mechanistic Understanding of Base-Catalyzed Aldimine/Ketoamine Condensations: An Old Story and A New Model[期刊论文]，ASIAN JOURNAL OF ORGANIC CHEMISTRY，2021-03-01
61. DOI 白林涛,王明坤,张林,赵美君,任美,Zheng, Lirong,雷鸣,申鹤云
Poly(Amino Acid) Coordination Nanoparticle as a Potent Sonosensitizer for Cancer Therapy[期刊论文]，ACS Applied Bio Materials，2021-01-18
62. DOI 邹寅星,李哲伟,刘阳秋,雷鸣
重叠式乙烷构象是过渡态吗[期刊论文]，化学教育(中英文)，2021-01-18
63. DOI Ding, Ruiqin,Xu, Jinjiang,Tao, Yuting,Sun, Jie,雷鸣
Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2020-08-06
64. DOI Xiong, Wenfang,Shi, Fuxing,Cheng, Ruixiang,Zhu, Baiyao,Wang, Lu,Chen, Pengquan,Lou, Hongming,Wu, Wanqing,Qi, Chaorong,雷鸣,Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
65. DOI Hu Xiao-Min,Yu Yu-Tian,Chen Si-Yu,雷鸣,蒲敏,杨作银
Hydrogen Bond Cooperative Effect in Single Cage Water Clusters[期刊论文]，CHINESE JOURNAL OF STRUCTURAL CHEMISTRY，2020-07-16
66. DOI Wang, Kun,Zhang, Lin,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
67. DOI Wang, Kun,张林,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
68. DOI Liu, Yangqiu,Yue, Xin,Li, Longfei,Li, Zhewei,Zhang, Lin,蒲敏,杨作银,Wang, Chao,Xiao, Jianliang,雷鸣
Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation[期刊论文]，INORGANIC CHEMISTRY，2020-06-15
69. DOI 张尉,蒲敏,雷鸣
Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation[期刊论文]，LANGMUIR，2020-06-02
70. DOI Li Zhewei,Wang Qianyue,蒲敏,杨作银,雷鸣
Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation[期刊论文]，ACTA CHIMICA SINICA，2020-05-15
71. DOI 雷鸣,杨作银,李亚平,蒲敏
基于“1 + 2”模式的结构化学课程在线教学实践[期刊论文]，大学化学，2020-04-17
72. DOI Luo, Chenguang,Li, Longfei,Yue, Xin,Li, Pengjie,Zhang, Lin,杨作银,蒲敏,Cao, Zexing,雷鸣
pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(eta(6)-arene)RuCl(kappa(2)-N,N-dmobpy)](+) complex: a DFT mechanistic understanding[期刊论文]，RSC ADVANCES，2020-03-15
73. DOI Luo, Chenguang,Lu, Lin,Zhang, Lin,杨作银,蒲敏,Yin, Biaolin,雷鸣
Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study[期刊论文]，THEORETICAL CHEMISTRY ACCOUNTS，2020-03-01
74. DOI 胡晓敏,余雨田,陈思宇,雷鸣,蒲敏,杨作银
单笼形水分子簇中心水分子对类型关系[期刊论文]，分子科学学报，2020-02-27
75. DOI 刘晓亮,刘阳秋,雷鸣
结构化学课程中基于网络的点群演示教学平台PGLite的开发与实践[期刊论文]，大学化学.，2020-02-19
76. DOI Wang, Ju,张尉,Zhu, Wenyou,Zhuang, Wenchang,雷鸣
Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation[期刊论文]，MOLECULAR CATALYSIS，2020-02-01
77. DOI 丁瑞琴,陶玉婷,徐金江,孙杰,雷鸣
含能化合物CL-20及其共晶的结构及性能研究进展[期刊论文]，武汉大学学报(理学版)，2020-01-02
78. DOI Cao, Zheliang,张尉,Ding, Ruiqin,Wang, Ju,蒲敏,杨作银,雷鸣
The reaction paths of CH2O decomposition on CuO(111) surface: A DFT study[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2020-01-01
79. DOI 张林,张尉,岳鑫,李鹏杰,杨作银,蒲敏,雷鸣
锰配合物催化CO2加氢生成甲酸的理论研究[期刊论文]，高等学校化学学报，2019-09-10
80. DOI Yue, Xin,Li, Longfei,Li, Pengjie,Luo, Chenguang,蒲敏,杨作银,雷鸣
A Computational Study on Iridium-Catalyzed Production of Acetic Acid from Ethanol and Water Solution[期刊论文]，CHINESE JOURNAL OF CHEMISTRY，2019-09-01
81. DOI Wang, Qianyue,Li, Longfei,Li, Pengjie,Yue, Xin,杨作银,蒲敏,雷鸣
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
82. DOI Xiao, Miao,Yue, Xin,Xu, Ruirui,Tang, Weijun,Xue, Dong,Li, Chaoqun,雷鸣,Xiao, Jianliang,Wang, Chao
Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-07-29
83. DOI 徐庆红,李嘉梁,Teng, Xu,Yue, Xin,雷鸣,Ding, Caifeng,吕超
Rapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes[期刊论文]，CHEMICAL COMMUNICATIONS，2019-05-14
84. DOI 张尉,Ma, Xue-Lu,Xiao, Hai,雷鸣,雷鸣,Li, Jun
Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2019-05-09
85. DOI Lu, Lin,Luo, Chenguang,Peng, Hui,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Access to Polycyclic Sulfonyl Indolines via Fe(II)-Catalyzed or UV-Driven Formal [2+2+1] Cyclization Reactions of N-((1H-indol-3-yl)methyl)propiolamides with NaHSO3[期刊论文]，ORGANIC LETTERS，2019-04-19
86. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
87. DOI 余雨田,胡晓敏,雷鸣,杨作银
笼形水合簇中水分子对与氢键能的关系[期刊论文]，北京化工大学学报(自然科学版)，2018-11-20
88. DOI Li, Pengjie,Li, Longfei,Yue, Xin,Wang, Qianyue,蒲敏,杨作银,雷鸣
1,2 addition or cycloaddition of allenes by a dihafnium mu-Nitrido complex? A DFT study[期刊论文]，JOURNAL OF ORGANOMETALLIC CHEMISTRY，2018-11-01
89. DOI 马嘉苓,张慧,张欣,雷鸣
3D-QSAR Studies of D3R Antagonists and 5-HT1AR Agonists[期刊论文]，J. Mol. Graph. Model，2018-10-12
90. DOI Zhang, Pei-Huan,蒲敏,Gao, Yang,Zhang, Yu-Feng,雷鸣,杨作银
Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2018-10-04
91. DOI Li, Longfei,雷鸣,刘力,Xie, Yaoming,Schaefer, Henry F., III
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst[期刊论文]，INORGANIC CHEMISTRY，2018-08-06
92. DOI Li, Longfei,雷鸣,Xie, Yaoming,Weinhold, Frank,Schaefer, Henry F., III
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its AI, Ga, In, and TI Congeners1[期刊论文]，INORGANIC CHEMISTRY，2018-07-02
93. DOI Li, Pengjie,Xi, Yanxia,Li, Longfei,李慧,Sun, Wen-Hua,雷鸣
A DFT study on ring-opening polymerization of epsilon-caprolactone initiated by Mg and Al complexes[期刊论文]，INORGANICA CHIMICA ACTA，2018-05-24
94. DOI Wang, Chen-Xi,蒲敏,Zhang, Pei-Huan,Gao, Yang,杨作银,雷鸣
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
95. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki-Miyaura交叉偶联反应催化活性组分生成机理的理论研究1[期刊论文]，高等学校化学学报，2018-04-10
96. DOI Li, Longfei,Zhu, Huajie,刘力,Song, Datong,雷鸣
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
97. DOI Li, Zhe,雷鸣,陈娟,祁欣
An All-Solid-State Polymeric Membrane chloride ion-selective Electrode with Nanowires poly(3,4-ethylenedioxythiophene) as Solid Contact[期刊论文]，INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE，2017-12-01
98. DOI 雷鸣
加强国际合作,促进计算金属有机催化学科发展[期刊论文]，国际学术动态，2017-10-15
99. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane : Characteristic Features of Iron Species[期刊论文]，ORGANOMETALLICS，2017-09-25
100. DOI Li, Longfei,雷鸣,Xie, Yaoming,Schaefer, Henry F., III,Chen, Bo,Hoffmann, Roald
Stabilizing a different cyclooctatetraene stereoisomer[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2017-09-12
101. DOI 王海霞,王婉秦,蒲敏,雷鸣,王向东
翻转课堂模式在光度法测铁实验教学中的应用[期刊论文]，大学化学，2017-06-28
102. DOI 岳鑫,李慧,雷鸣
Ti碳氧化物催化氮氮裂解的密度泛函理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
103. DOI 李鹏杰,席艳霞,李慧,雷鸣
镁/铝格氏试剂催化ε-己内酯开环聚合的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
104. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki–Miyaura交叉偶联反应的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
105. DOI 李龙飞,雷鸣
金属-底物协同作用——Ru配合物催化氨基乙醇脱氢酰胺化反应的理论研究[会议论文]，第十三届全国量子化学会议报告集，2017-06-08
106. DOI 王晶,He, Lei,Nan, Feng,Wang, Fan,Li, Hongming,雷鸣,Li, Longfei,黄启谷,杨万泰
Investigation on terpolymer of ethylene/propylene/omega-bromo-alpha-olefins catalyzed by titanium complexes[期刊论文]，JOURNAL OF MATERIALS SCIENCE，2017-05-01
107. DOI Ma,Xuelu,雷鸣
Mechanistic Insights into the Directed Hydrogenation of Hydroxylated Alkene Catalyzed by Bis(phosphine)cobalt Dialkyl Complexes[期刊论文]，Journal of Organic Chemistry，2017-03-03
108. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species[期刊论文]，Organometallics，2017-01-01
109. DOI Xi, Yanxia,Rajendran, Natesan Mannangatti,Zhang, Wenjuan,Sun, Yang,雷鸣,Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
110. DOI 李辉,Ma, Xuelu,Zhang, Baohua,雷鸣
DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C-H Activation/Carbocyclization Catalyzed by Pd(OAc)(2)[期刊论文]，ORGANOMETALLICS，2016-10-10
111. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
112. DOI 李慧,雷鸣
Pd（OAc） 2 催化芳基联烯发生二聚反应的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
113. DOI 李龙飞,雷鸣
硼基钴与硼基镍化合物在烯烃氢化反应中的活性差别的机理研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
114. DOI 马雪璐,雷鸣,Paul J.Chirik,何静
廉价金属配合物催化氢化烯烃反应机理的理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
115. DOI 李龙飞,雷鸣
双膦双胺过渡金属钌催化剂催化不对称酮氢化的反应机理及三维构效模型研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
116. DOI 张益伟,雷鸣
Ti氮氧化物中C-N键生成和C-O键裂解机理的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
117. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
118. DOI Li,Longfei,Pan,Yuhui,雷鸣
The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: Insights from a 3D-QSSR and DFT study[期刊论文]，Catalysis Science and Technology，2016-01-01
119. DOI 段新丽,张欣,雷鸣
烟酰胺酶催化水解脱氨反应的QM/MM分子动力学模拟[期刊论文]，高等学校化学学报，2015-12-10
120. DOI 李龙飞,摆音娜,雷鸣,刘力
橡胶硫化促进剂的研究进展[期刊论文]，化学进展，2015-10-16
121. DOI Ma, Xuelu,雷鸣,Liu, Shubin
Homolytic or Heterolytic Dihydrogen Splitting with Ditantalum/Dizirconium Dinitrogen Complexes? A Computational Study[期刊论文]，ORGANOMETALLICS，2015-04-13
122. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
123. DOI 雷鸣,Pan, Yuhui,Ma, Xuelu
The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions[期刊论文]，EUROPEAN JOURNAL OF INORGANIC CHEMISTRY，2015-02-01
124. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
125. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
126. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Bent and planar structures of it mu-eta(2):eta(2)-N-2 dinuclear early transition metal complexes[期刊论文]，DALTON TRANSACTIONS，2014-08-14
127. DOI 马雪璐,唐艳辉,雷鸣
Bent and Planar Structures of μ-η 2 ,η 2 -N 2 Binuclear Early Transition-Metal Complexes[会议论文]，中国化学会第十二届全国量子化学会议论文摘要集，2014-06-12
128. DOI 赵丽君,雷鸣
甲状腺结合前清蛋白的理论研究[期刊论文]，化学进展，2013-12-25
129. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
130. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
131. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
132. DOI Zhao LiJun,Zhang LiangRen,雷鸣
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
133. DOI Ma Xuelu,雷鸣
Dinitrogen Fixation Activated by Binuclear Transition-Metal Complexes[期刊论文]，PROGRESS IN CHEMISTRY，2013-08-24
134. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
135. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
136. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
137. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
138. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01
139. DOI Feng, Xin-Tian,Yu, Jian-Guo,雷鸣,Fang, Wei-Hai,Liu, Shubin
Toward understanding metal-binding specificity of porphyrin: A conceptual density functional theory study[期刊论文]，Journal of Physical Chemistry B，2009-10-08
140. DOI Wang, Guilei,Chen, Yue,Zhong, Aiguo,杜洪光,雷鸣
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05
141. DOI Yang, Mingfeng,雷鸣,Yordanov, Boyan,Huo, Shuanghong
Peptide plane can flip in two opposite directions: Implication in amyloid formation of transthyretin[期刊论文]，Journal of Physical Chemistry B，2006-03-30

[+][-]2020年之前

1. DOI Liu, Jingjiao,张娇娇,Sun, Min,Li, Hongming,雷鸣,黄启谷
Ethylene/Polar Monomer Copolymerization by [N, P] Ti Complexes: Polar Copolymers with Ultrahigh-Molecular Weight[期刊论文]，ACS OMEGA，2024-03-19
2. DOI 唐艳辉,蒲敏,雷鸣
Cyclopentadienone Diphosphine Ruthenium Complex: A Designed Catalyst for the Hydrogenation of Carbon Dioxide to Methanol[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2024-02-02
3. DOI Zhang, Lin,雷鸣,Cao, Zexing
Hydroboration Reduction of CO2 Catalyzed by a Doubly Reduced Arylborane: DFT Insight into Double Active-Site and CO2 Self-Promoting Single Active-Site Mechanisms and Counterion Effects[期刊论文]，ACS Catalysis，2023-12-19
4. DOI Yunfan Yue,Tian Ma,Yaqi Zhao,Xiaofan Shi,Yanhui Tang,蒲敏,雷鸣
The Theoretical Design of Manganese Catalysts with Si-N-Si-C-Si-C Six-membered Ring Core-based Bowl-shaped Quadridentate Ligand for the Hydrogenation of C=O/C=N Bonds[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-09-27
5. DOI Haohao Wang,Caiwei Yue,Jirui Du,蒲敏,雷鸣
First Principles Study on the Mechanism of Nitrobenzene Hydrogenation by a Ni1/CeO2-x(111) Single-Atom Catalyst[期刊论文]，Journal of Physical Chemistry C，2023-08-31
6. DOI Xiangling Luo,李哲伟,Yuzhen Zheng,Yueping Lin,Huangfeng Jiang,Lukas J. Goo？en,雷鸣,Liangbin Huang
Ligand-Enabled ortho-Arylation of (hetero)Aromatic Acids with 2,6-Disubstituted Aryl Halides[期刊论文]，ACS Catal.，2023-08-30
7. DOI Zhenli Luo,Zhewei Li,Haoqiang Zhao,Ji Yang,Lijin Xu,雷鸣,Qinghua Fan,Patrick J. Walsh
Borane-Catalyzed Tandem Cyclization/Hydrosilylation Towards Enantio- and Diastereoselective Construction of trans-2,3-Disubstituted-1,2,3,4-Tetrahydroquinoxalines[期刊论文]，Angewandte Chemie-International Edition，2023-08-07
8. DOI Chen, Ziqiang,Qi, Hexiang,王好好,岳彩巍,刘阳秋,杨作银,蒲敏,雷鸣
The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2023-07-19
9. DOI Yulan Dai,Zhewei Li,蒲敏,雷鸣
Understanding the Mechanism and Selectivity of 1,1-Diborylalkanes from Alkenes Catalyzed by Zirconium Complex[期刊论文]，INORGANIC CHEMISTRY，2023-07-10
10. DOI Ali, Qaim,李哲伟,张林,骆宸光,蒲敏,雷鸣
DFT Mechanistic Investigation on Manganese Pincer Complex Catalysed Cross-Coupling of Methanol with Benzyl Alcohol to Afford Methyl Benzoate[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2023-06-22
11. DOI 金登雨,Xu, Jinjiang,Zhang, Haobin,雷鸣,Sun, Jie
Comparative Study of Experiments and Calculations on the Guest Molecules' Escaping Mechanism of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2023-06-12
12. DOI 温静,Zhewei Li,Yanhui Tang,蒲敏,雷鸣
Mechanistic Insight of Amides Formation from Aryl Epoxides and Amines Catalyzed by Ruthenium Pincer Complexes: A DFT Study[期刊论文]，DALTON TRANSACTIONS，2023-05-19
13. DOI Bin Wang,荣春英,雷鸣,Shubin Liu,Frank De Proft
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer Complex[期刊论文]，INORGANIC CHEMISTRY，2023-05-15
14. DOI 刘阳秋,祁鹤翔,雷鸣
Improved Elastic Image Pair Method for Finding Transition States[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2023-04-25
15. DOI 张培焕,Zhu, Yue,Li, Zhewei,王珞聪,岳彩巍,雷鸣,蒲敏
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
16. DOI Jiang, Kai,王好好,Xie, Yi,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Remote-Group-Assisted Facile Oxidative Arylation of Furans and Pyrroles[期刊论文]，ACS Catalysis，2023-03-17
17. DOI 戴玉兰,Yuan, Binfang,李哲伟,张林,李龙飞,蒲敏,雷鸣
Density Functional Theory Study on the H2-Acceptorless Dehydrogenative Boration of Alkenes Catalyzed by a Zirconium Complex[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-12-16
18. DOI 马雪璐,李蒙,雷鸣
三核过渡金属配合物在催化反应中的研究进展[期刊论文]，化学学报，2022-12-06
19. DOI Ali, Qaim,陈永勇,张瑞雪,李哲伟,唐艳辉,蒲敏,雷鸣
The Origin of Stereoselectivity in the Hydrogenation of Oximes Catalyzed by Iridium Complexes: A DFT Mechanistic Study[期刊论文]，MOLECULES，2022-11-30
20. DOI 岳彩巍,王珞聪,王好好,杜吉瑞,雷鸣,蒲敏
First-Principles Study on the Electrocatalytic Oxygen Evolution Reaction on the (110) Surfaces of Layered Double Hydroxides[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2022-11-03
21. DOI 刘雪慧,王好好,李伟丹,陈佳雯,房嘉琪,Yan, Xiaoying,Mi, Shuo,洪崧,雷鸣,殷雄,Bai, Lu,Guo, Yanjun,Xu, Rui,Cheng, Zhihai,汪乐余
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
22. DOI Zhu, Baiyao,李哲伟,Chen, Fulin,Xiong, Wenfang,Tan, Xiaobin,雷鸣,Wu, Wanqing,Jiang, Huanfeng
Palladium-catalyzed oxidative Heck reaction of non-activated alkenes directed by fluorinated alcohol[期刊论文]，Chemical Communications，2022-10-20
23. DOI Lulu Zhang,Caiwei Yue,Lin Zhang,Peihuan Zhang,Luocong Wang,雷鸣,蒲敏
A DFT Study on the Isomerization Mechanism of Azobenzene Derivatives on Silicon Substrate[期刊论文]，New Journal of Chemistry，2022-10-19
24. DOI Li, Meng,张瑞雪,Gao, Qiushan,Jiang, Huanfeng,雷鸣,Wu, Wanqing
Divergent Synthesis of Fused Tetracyclic Heterocycles from Diarylalkynes Enabled by the Selective Insertion of Isocyanide[期刊论文]，Angewandte Chemie - International Edition，2022-10-17
25. DOI 张培焕,李哲伟,刘阳秋,史福兴,王珞聪,蒲敏,雷鸣
Hydride Relay Exchange Mechanism for the Heterocyclic C-H Arylation of Benzofuran and Benzothiophene Catalyzed by Pd Complexes[期刊论文]，JOURNAL OF ORGANIC CHEMISTRY，2022-10-07
26. DOI Ding, Yangming,Guo, Tenglong,李哲伟,Zhang, Bo,Kühn, Fritz E.,Liu, Chang,Zhang, Jian,Xu, Dezhu,雷鸣,Zhang, Tao,Li, Changzhi
Transition-Metal-Free Synthesis of Functionalized Quinolines by Direct Conversion of β-O-4 Model Compounds[期刊论文]，Angewandte Chemie-International Edition，2022-09-19
27. DOI 王好好,史福兴,蒲敏,雷鸣
Theoretical Study on Nitrobenzene Hydrogenation by N-Doped Carbon-Supported Late Transition Metal Single-Atom Catalysts[期刊论文]，ACS Catalysis，2022-09-16
28. DOI 刘新原,史福兴,金超超,Liu, Binbin,雷鸣,谭嘉靖
Stereospecific synthesis of monofluoroalkenes and their deuterated analogues via Ag-catalyzed decarboxylation[期刊论文]，Journal of Catalysis，2022-09-01
29. DOI 史福兴,Ren, Xiaochuan,王好好,蒲敏,刘力,雷鸣
Neutral Phosphine-Sulfonate Pd Complex-Catalyzed Copolymerization of 2-Methoxystyrene and Ethylene Polar Monomers: A DFT Mechanistic Study[期刊论文]，ACS Applied Polymer Materials，2022-08-12
30. DOI 刘阳秋,祁鹤翔,雷鸣
Elastic Image Pair Method for Finding Transition States on Potential Energy Surfaces Using Only First Derivatives[期刊论文]，JOURNAL OF CHEMICAL THEORY AND COMPUTATION，2022-08-09
31. DOI 李哲伟,张会丽,谭天伟,雷鸣
The mechanism of direct reductive amination of aldehyde and amine with formic acid catalyzed by boron trifluoride complexes: insights from a DFT study[期刊论文]，Catalysis Science and Technology，2022-08-02
32. DOI 盛晨曦,李哲伟,蒲敏,雷鸣
Theoretical study on the mechanism of the benzaldehyde deoxyfluorination by sulfuryl fluoride and tetramethylammonium fluoride[期刊论文]，Journal of Physical Organic Chemistry，2022-08-01
33. DOI 付宏远,姚嘉,张铭,薛灵伟,周秋菊,李尚宇,雷鸣,孟磊,张志国,李永舫
Low-cost synthesis of small molecule acceptors makes polymer solar cells commercially viable[期刊论文]，Nature Communications，2022-06-27
34. DOI 祁鹤翔,刘阳秋,蒲敏,杨作银,李亚平,雷鸣
分子点群虚拟仿真实验的建设与实践[期刊论文]，化学教育(中英文)，2022-06-18
35. DOI Zhang, Bo,Guo, Tenglong,李哲伟,Kuhn, Fritz E.,雷鸣,Zhao, Zongbao K.,Xiao, Jianliang,Zhang, Jian,Xu, Dezhu,Zhang, Tao,Li, Changzhi
Transition-metal-free synthesis of pyrimidines from lignin beta-O-4 segments via a one-pot multi-component reaction[期刊论文]，NATURE COMMUNICATIONS，2022-06-11
36. DOI 周颖,赵娅琦,史晓帆,唐艳辉,杨作银,蒲敏,雷鸣
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
37. DOI 赵娅琦,张林,唐艳辉,蒲敏,雷鸣
A theoretical study of asymmetric ketone hydrogenation catalyzed by Mn complexes: from the catalytic mechanism to the catalyst design[期刊论文]，Physical Chemistry Chemical Physics，2022-05-09
38. DOI 雷鸣,陈星钰,王英杰,张丽然,朱红,王智谦
Homogeneous and Heterogeneous Pd-Catalyzed Selective C-PActivation and Transfer Hydrogenation for?Group-Substitution?Synthesis of Trivalent Phosphines[期刊论文]，ORGANIC LETTERS，2022-04-22
39. DOI 王珞聪,李哲伟,岳彩巍,张培焕,雷鸣,蒲敏
电场下偶氮苯衍生物分子顺反异构化反应机理的理论研究[期刊论文]，化学学报，2022-04-12
40. DOI 张林,赵娅琦,刘翀,蒲敏,雷鸣,曹泽星
Hydroboration of CO2to Methyl Boronate Catalyzed by a Manganese Pincer Complex: Insights into the Reaction Mechanism and Ligand Effect[期刊论文]，Inorganic Chemistry，2022-04-11
41. DOI 祁鹤翔,王智鹏,彭鼎,韩丰泽,刘阳秋,蒲敏,杨作银,李亚平,安赛,雷鸣
分子点群的判别[期刊论文]，大学化学.，2022-03-16
42. DOI Quan, Zhuo,Mao, Li,Tang, Yi-Qi,雷鸣,Zhu, Ben-Zhan,Liu, Ya-Jun
Mechanistic Investigation of H2O2-dependent Chemiluminescence from Tetrabromo-1,4-Benzoquinone[期刊论文]，CHEMPHYSCHEM，2022-03-04
43. DOI 王锐,刘阳秋,王骞阅,张林,李哲伟,蒲敏,雷鸣
The Role of AQ in the Regioselectivity of Strong Alkyl C-O Bond Activation Catalyzed by Pd(OAc)2: A Density Functional Theory Mechanistic Study[期刊论文]，Inorganic Chemistry，2021-12-06
44. DOI 刘翀,张林,李龙飞,雷鸣
Theoretical Design of a Catalyst with Both High Activity and Selectivity in C-H Borylation[期刊论文]，Journal of Organic Chemistry，2021-12-03
45. DOI 史福兴,李晓林,Bai, Yinna,李龙飞,蒲敏,刘力,雷鸣
Mechanism of the Zinc Dithiocarbamate-Activated Rubber Vulcanization Process: A Density Functional Theory Study[期刊论文]，ACS APPLIED POLYMER MATERIALS，2021-10-08
46. DOI 赵娅琦,张林,Li, Zhewei,蒲敏,雷鸣
Theoretical study on the mechanism of C-N and C-C coupling to form indole catalyzed by Pd(OAc)(2)[期刊论文]，MOLECULAR CATALYSIS，2021-10-01
47. DOI 赵娅琦,张林,蒲敏,雷鸣
A phosphine-free Mn(i)-NNS catalyst for asymmetric transfer hydrogenation of acetophenone: a theoretical prediction[期刊论文]，DALTON TRANSACTIONS，2021-09-14
48. DOI 王好好,张尉,刘阳秋,蒲敏,雷鸣
First-Principles Study on the Mechanism of Nitrobenzene Reduction to Aniline Catalyzed by a N-Doped Carbon-Supported Cobalt Single-Atom Catalyst[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-09
49. DOI 鄢红,杨屹,王涛,陆军,何静,陈咏梅,许家喜,白守礼,王志华,雷鸣
着力优化育人要素，全面促进应用化学一流本科专业建设[期刊论文]，大学化学.，2021-09-08
50. DOI Zhu, Ling,张林,杨作银,蒲敏,雷鸣
A theoretical study of the hydroboration of alpha,beta-unsaturated carbonyl compounds catalyzed by a metal-free complex and subsequent C-C coupling with acetonitrile[期刊论文]，NEW JOURNAL OF CHEMISTRY，2021-08-21
51. DOI 张培焕,张玉凤,Li, Zhewei,高阳,雷鸣,杨作银,蒲敏
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
52. DOI Ping, Yifan,王锐,王骞阅,Chang, Taiwei,Huo, Jingfeng,雷鸣,Wang, Jianbo
Synthesis of Alkenylboronates from N-Tosylhydrazones through Palladium-Catalyzed Carbene Migratory Insertion[期刊论文]，JOURNAL OF THE AMERICAN CHEMICAL SOCIETY，2021-07-07
53. DOI Xu, Xin,张林,Zhao, Haoqiang,Pan, Yixiao,Li, Jiajie,Luo, Zhenli,Han, Jiahong,徐立进,雷鸣
Cobalt(III)-Catalyzed Regioselective C6 Olefination of 2-Pyridones Using Alkynes: Olefination/Directing Group Migration and Olefination[期刊论文]，ORGANIC LETTERS，2021-06-18
54. DOI Xu, Xin,骆宸光,Zhao, Haoqiang,Pan, Yixiao,Zhang, Xin,Li, Jiajie,徐立进,雷鸣,Walsh, Patrick J.
Rhodium(III)-Catalyzed C-H Bond Functionalization of 2-Pyridones with Alkynes: Switchable Alkenylation, Alkenylation/Directing Group Migration and Rollover Annulation[期刊论文]，CHEMISTRY-A EUROPEAN JOURNAL，2021-06-16
55. DOI 陶玉婷,徐金江,Zhang, Haobin,Huang, Shiliang,杨作银,孙杰,雷鸣
An experimental and theoretical study on the growth of plate-like beta-HMX crystals in the hydroxylated interlayer space[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2021-06-07
56. DOI 陶玉婷,徐金江,Zhang, Haobin,杨作银,雷鸣,孙杰
Thermal Expansion Characteristic of a New Type High Energy Explosive ICM-101[期刊论文]，含能材料，2021-05-12
57. DOI 张林,蒲敏,雷鸣
Hydrogenation of CO2 to methanol catalyzed by a manganese pincer complex: insights into the mechanism and solvent effect[期刊论文]，DALTON TRANSACTIONS，2021-04-21
58. DOI 张林,Wang, Bin,赵娅琦,蒲敏,Liu, Shubin,雷鸣
Using Bases as Initiators to Isomerize Allylic Alcohols: Insights from Density Functional Theory Studies[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2021-03-25
59. DOI 王菊,雷鸣,Wang, Zhaoxu,Liu, Yusheng,Zhuang, Wenchang,Zhu, Wenyou
Methanol oxidation over rutile Au-1@TiO2 catalyst: Importance of facets and oxygen vacancy[期刊论文]，APPLIED SURFACE SCIENCE，2021-03-15
60. DOI Li, Zhe-wei,张林,蒲敏,雷鸣
Mechanistic Understanding of Base-Catalyzed Aldimine/Ketoamine Condensations: An Old Story and A New Model[期刊论文]，ASIAN JOURNAL OF ORGANIC CHEMISTRY，2021-03-01
61. DOI 白林涛,王明坤,张林,赵美君,任美,Zheng, Lirong,雷鸣,申鹤云
Poly(Amino Acid) Coordination Nanoparticle as a Potent Sonosensitizer for Cancer Therapy[期刊论文]，ACS Applied Bio Materials，2021-01-18
62. DOI 邹寅星,李哲伟,刘阳秋,雷鸣
重叠式乙烷构象是过渡态吗[期刊论文]，化学教育(中英文)，2021-01-18
63. DOI Ding, Ruiqin,Xu, Jinjiang,Tao, Yuting,Sun, Jie,雷鸣
Experimental and Theoretical Study on the Stability of CL-20-Based Host-Guest Energetic Materials[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2020-08-06
64. DOI Xiong, Wenfang,Shi, Fuxing,Cheng, Ruixiang,Zhu, Baiyao,Wang, Lu,Chen, Pengquan,Lou, Hongming,Wu, Wanqing,Qi, Chaorong,雷鸣,Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
65. DOI Hu Xiao-Min,Yu Yu-Tian,Chen Si-Yu,雷鸣,蒲敏,杨作银
Hydrogen Bond Cooperative Effect in Single Cage Water Clusters[期刊论文]，CHINESE JOURNAL OF STRUCTURAL CHEMISTRY，2020-07-16
66. DOI Wang, Kun,Zhang, Lin,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
67. DOI Wang, Kun,张林,Tang, Weijun,Sun, Huaming,Xue, Dong,雷鸣,Xiao, Jianliang,Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
68. DOI Liu, Yangqiu,Yue, Xin,Li, Longfei,Li, Zhewei,Zhang, Lin,蒲敏,杨作银,Wang, Chao,Xiao, Jianliang,雷鸣
Asymmetric Induction with a Chiral Amine Catalyzed by a Ru-PNP Pincer Complex: Insight from Theoretical Investigation[期刊论文]，INORGANIC CHEMISTRY，2020-06-15
69. DOI 张尉,蒲敏,雷鸣
Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation[期刊论文]，LANGMUIR，2020-06-02
70. DOI Li Zhewei,Wang Qianyue,蒲敏,杨作银,雷鸣
Theoretical Study on Nitrogenous Heterocyclic Assisted Aldimine Condensation[期刊论文]，ACTA CHIMICA SINICA，2020-05-15
71. DOI 雷鸣,杨作银,李亚平,蒲敏
基于“1 + 2”模式的结构化学课程在线教学实践[期刊论文]，大学化学，2020-04-17
72. DOI Luo, Chenguang,Li, Longfei,Yue, Xin,Li, Pengjie,Zhang, Lin,杨作银,蒲敏,Cao, Zexing,雷鸣
pH-Dependent transfer hydrogenation or dihydrogen release catalyzed by a [(eta(6)-arene)RuCl(kappa(2)-N,N-dmobpy)](+) complex: a DFT mechanistic understanding[期刊论文]，RSC ADVANCES，2020-03-15
73. DOI Luo, Chenguang,Lu, Lin,Zhang, Lin,杨作银,蒲敏,Yin, Biaolin,雷鸣
Transition-metal-free polycyclic indoline formation via a free radical pathway: a computational mechanistic study[期刊论文]，THEORETICAL CHEMISTRY ACCOUNTS，2020-03-01
74. DOI 胡晓敏,余雨田,陈思宇,雷鸣,蒲敏,杨作银
单笼形水分子簇中心水分子对类型关系[期刊论文]，分子科学学报，2020-02-27
75. DOI 刘晓亮,刘阳秋,雷鸣
结构化学课程中基于网络的点群演示教学平台PGLite的开发与实践[期刊论文]，大学化学.，2020-02-19
76. DOI Wang, Ju,张尉,Zhu, Wenyou,Zhuang, Wenchang,雷鸣
Rutile TiO2 supported single atom Au catalyst: A facile approach to enhance methanol dehydrogenation[期刊论文]，MOLECULAR CATALYSIS，2020-02-01
77. DOI 丁瑞琴,陶玉婷,徐金江,孙杰,雷鸣
含能化合物CL-20及其共晶的结构及性能研究进展[期刊论文]，武汉大学学报(理学版)，2020-01-02
78. DOI Cao, Zheliang,张尉,Ding, Ruiqin,Wang, Ju,蒲敏,杨作银,雷鸣
The reaction paths of CH2O decomposition on CuO(111) surface: A DFT study[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2020-01-01
79. DOI 张林,张尉,岳鑫,李鹏杰,杨作银,蒲敏,雷鸣
锰配合物催化CO2加氢生成甲酸的理论研究[期刊论文]，高等学校化学学报，2019-09-10
80. DOI Yue, Xin,Li, Longfei,Li, Pengjie,Luo, Chenguang,蒲敏,杨作银,雷鸣
A Computational Study on Iridium-Catalyzed Production of Acetic Acid from Ethanol and Water Solution[期刊论文]，CHINESE JOURNAL OF CHEMISTRY，2019-09-01
81. DOI Wang, Qianyue,Li, Longfei,Li, Pengjie,Yue, Xin,杨作银,蒲敏,雷鸣
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
82. DOI Xiao, Miao,Yue, Xin,Xu, Ruirui,Tang, Weijun,Xue, Dong,Li, Chaoqun,雷鸣,Xiao, Jianliang,Wang, Chao
Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2019-07-29
83. DOI 徐庆红,李嘉梁,Teng, Xu,Yue, Xin,雷鸣,Ding, Caifeng,吕超
Rapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes[期刊论文]，CHEMICAL COMMUNICATIONS，2019-05-14
84. DOI 张尉,Ma, Xue-Lu,Xiao, Hai,雷鸣,雷鸣,Li, Jun
Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2019-05-09
85. DOI Lu, Lin,Luo, Chenguang,Peng, Hui,Jiang, Huanfeng,雷鸣,Yin, Biaolin
Access to Polycyclic Sulfonyl Indolines via Fe(II)-Catalyzed or UV-Driven Formal [2+2+1] Cyclization Reactions of N-((1H-indol-3-yl)methyl)propiolamides with NaHSO3[期刊论文]，ORGANIC LETTERS，2019-04-19
86. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
87. DOI 余雨田,胡晓敏,雷鸣,杨作银
笼形水合簇中水分子对与氢键能的关系[期刊论文]，北京化工大学学报(自然科学版)，2018-11-20
88. DOI Li, Pengjie,Li, Longfei,Yue, Xin,Wang, Qianyue,蒲敏,杨作银,雷鸣
1,2 addition or cycloaddition of allenes by a dihafnium mu-Nitrido complex? A DFT study[期刊论文]，JOURNAL OF ORGANOMETALLIC CHEMISTRY，2018-11-01
89. DOI 马嘉苓,张慧,张欣,雷鸣
3D-QSAR Studies of D3R Antagonists and 5-HT1AR Agonists[期刊论文]，J. Mol. Graph. Model，2018-10-12
90. DOI Zhang, Pei-Huan,蒲敏,Gao, Yang,Zhang, Yu-Feng,雷鸣,杨作银
Theoretical Study of the Histidine-catalyzed Asymmetric Aldol Reaction of Acetone and Benzaldehyde[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2018-10-04
91. DOI Li, Longfei,雷鸣,刘力,Xie, Yaoming,Schaefer, Henry F., III
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst[期刊论文]，INORGANIC CHEMISTRY，2018-08-06
92. DOI Li, Longfei,雷鸣,Xie, Yaoming,Weinhold, Frank,Schaefer, Henry F., III
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its AI, Ga, In, and TI Congeners1[期刊论文]，INORGANIC CHEMISTRY，2018-07-02
93. DOI Li, Pengjie,Xi, Yanxia,Li, Longfei,李慧,Sun, Wen-Hua,雷鸣
A DFT study on ring-opening polymerization of epsilon-caprolactone initiated by Mg and Al complexes[期刊论文]，INORGANICA CHIMICA ACTA，2018-05-24
94. DOI Wang, Chen-Xi,蒲敏,Zhang, Pei-Huan,Gao, Yang,杨作银,雷鸣
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
95. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki-Miyaura交叉偶联反应催化活性组分生成机理的理论研究1[期刊论文]，高等学校化学学报，2018-04-10
96. DOI Li, Longfei,Zhu, Huajie,刘力,Song, Datong,雷鸣
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
97. DOI Li, Zhe,雷鸣,陈娟,祁欣
An All-Solid-State Polymeric Membrane chloride ion-selective Electrode with Nanowires poly(3,4-ethylenedioxythiophene) as Solid Contact[期刊论文]，INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE，2017-12-01
98. DOI 雷鸣
加强国际合作,促进计算金属有机催化学科发展[期刊论文]，国际学术动态，2017-10-15
99. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane : Characteristic Features of Iron Species[期刊论文]，ORGANOMETALLICS，2017-09-25
100. DOI Li, Longfei,雷鸣,Xie, Yaoming,Schaefer, Henry F., III,Chen, Bo,Hoffmann, Roald
Stabilizing a different cyclooctatetraene stereoisomer[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2017-09-12
101. DOI 王海霞,王婉秦,蒲敏,雷鸣,王向东
翻转课堂模式在光度法测铁实验教学中的应用[期刊论文]，大学化学，2017-06-28
102. DOI 岳鑫,李慧,雷鸣
Ti碳氧化物催化氮氮裂解的密度泛函理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
103. DOI 李鹏杰,席艳霞,李慧,雷鸣
镁/铝格氏试剂催化ε-己内酯开环聚合的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
104. DOI 张尉,张益伟,李慧,雷鸣
过渡金属钴配合物催化Suzuki–Miyaura交叉偶联反应的理论研究[会议论文]，第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法，2017-06-08
105. DOI 李龙飞,雷鸣
金属-底物协同作用——Ru配合物催化氨基乙醇脱氢酰胺化反应的理论研究[会议论文]，第十三届全国量子化学会议报告集，2017-06-08
106. DOI 王晶,He, Lei,Nan, Feng,Wang, Fan,Li, Hongming,雷鸣,Li, Longfei,黄启谷,杨万泰
Investigation on terpolymer of ethylene/propylene/omega-bromo-alpha-olefins catalyzed by titanium complexes[期刊论文]，JOURNAL OF MATERIALS SCIENCE，2017-05-01
107. DOI Ma,Xuelu,雷鸣
Mechanistic Insights into the Directed Hydrogenation of Hydroxylated Alkene Catalyzed by Bis(phosphine)cobalt Dialkyl Complexes[期刊论文]，Journal of Organic Chemistry，2017-03-03
108. DOI Li, Longfei,雷鸣,Sakaki, Shigeyoshi
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species[期刊论文]，Organometallics，2017-01-01
109. DOI Xi, Yanxia,Rajendran, Natesan Mannangatti,Zhang, Wenjuan,Sun, Yang,雷鸣,Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
110. DOI 李辉,Ma, Xuelu,Zhang, Baohua,雷鸣
DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C-H Activation/Carbocyclization Catalyzed by Pd(OAc)(2)[期刊论文]，ORGANOMETALLICS，2016-10-10
111. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
112. DOI 李慧,雷鸣
Pd（OAc） 2 催化芳基联烯发生二聚反应的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
113. DOI 李龙飞,雷鸣
硼基钴与硼基镍化合物在烯烃氢化反应中的活性差别的机理研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
114. DOI 马雪璐,雷鸣,Paul J.Chirik,何静
廉价金属配合物催化氢化烯烃反应机理的理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
115. DOI 李龙飞,雷鸣
双膦双胺过渡金属钌催化剂催化不对称酮氢化的反应机理及三维构效模型研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
116. DOI 张益伟,雷鸣
Ti氮氧化物中C-N键生成和C-O键裂解机理的密度泛函理论研究[会议论文]，中国化学会第30届学术年会摘要集-第四十五分会：物理有机，2016-07-01
117. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
118. DOI Li,Longfei,Pan,Yuhui,雷鸣
The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH 2 (diphosphine)(diamine) complexes: Insights from a 3D-QSSR and DFT study[期刊论文]，Catalysis Science and Technology，2016-01-01
119. DOI 段新丽,张欣,雷鸣
烟酰胺酶催化水解脱氨反应的QM/MM分子动力学模拟[期刊论文]，高等学校化学学报，2015-12-10
120. DOI 李龙飞,摆音娜,雷鸣,刘力
橡胶硫化促进剂的研究进展[期刊论文]，化学进展，2015-10-16
121. DOI Ma, Xuelu,雷鸣,Liu, Shubin
Homolytic or Heterolytic Dihydrogen Splitting with Ditantalum/Dizirconium Dinitrogen Complexes? A Computational Study[期刊论文]，ORGANOMETALLICS，2015-04-13
122. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
123. DOI 雷鸣,Pan, Yuhui,Ma, Xuelu
The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions[期刊论文]，EUROPEAN JOURNAL OF INORGANIC CHEMISTRY，2015-02-01
124. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
125. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
126. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Bent and planar structures of it mu-eta(2):eta(2)-N-2 dinuclear early transition metal complexes[期刊论文]，DALTON TRANSACTIONS，2014-08-14
127. DOI 马雪璐,唐艳辉,雷鸣
Bent and Planar Structures of μ-η 2 ,η 2 -N 2 Binuclear Early Transition-Metal Complexes[会议论文]，中国化学会第十二届全国量子化学会议论文摘要集，2014-06-12
128. DOI 赵丽君,雷鸣
甲状腺结合前清蛋白的理论研究[期刊论文]，化学进展，2013-12-25
129. DOI Ma, Xuelu,Tang, Yanhui,雷鸣
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
130. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
131. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
132. DOI Zhao LiJun,Zhang LiangRen,雷鸣
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
133. DOI Ma Xuelu,雷鸣
Dinitrogen Fixation Activated by Binuclear Transition-Metal Complexes[期刊论文]，PROGRESS IN CHEMISTRY，2013-08-24
134. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
135. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
136. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
137. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
138. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01
139. DOI Feng, Xin-Tian,Yu, Jian-Guo,雷鸣,Fang, Wei-Hai,Liu, Shubin
Toward understanding metal-binding specificity of porphyrin: A conceptual density functional theory study[期刊论文]，Journal of Physical Chemistry B，2009-10-08
140. DOI Wang, Guilei,Chen, Yue,Zhong, Aiguo,杜洪光,雷鸣
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05
141. DOI Yang, Mingfeng,雷鸣,Yordanov, Boyan,Huo, Shuanghong
Peptide plane can flip in two opposite directions: Implication in amyloid formation of transthyretin[期刊论文]，Journal of Physical Chemistry B，2006-03-30

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