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;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-] 2030年

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-] 2029年

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-] 2028年

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-] 2027年

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-] 2026年

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-] 2025年

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-] 2024年

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-] 2023年

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

[+][-]2023年之前

1. DOI Liu, Jingjiao;Zhang, Jiaojiao;Sun, Min;Li, Hongming;Lei, Ming;Huang, Qigu
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 Zhang, Lin;Lei, Ming;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
3. 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
4. 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
5. DOI Zhang, Peihuan;Zhu, Yue;Li, Zhewei;Wang, Luocong;Yue, Caiwei;Lei, Ming;Pu, Min
Theoretical Study on Photothermal Properties of Azobenzene Sulfonate/Magnesium-Aluminum Hydroxide Composite Dye[期刊论文]，ACS OMEGA，2023-03-28
6. DOI Dai, Yulan;Yuan, Binfang;Li, Zhewei;Zhang, Lin;Li, Longfei;Pu, Min;Lei, Ming
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
7. 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
8. DOI Ali, Qaim;Chen, Yongyong;Zhang, Ruixue;Li, Zhewei;Tang, Yanhui;Pu, Min;Lei, Ming
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
9. DOI Yue, Caiwei;Wang, Luocong;Wang, Haohao;Du, Jirui;Lei, Ming;Pu, Min
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
10. DOI Liu, Xuehui;Wang, Haohao;Li, Weidan;Chen, Jiawen;Fang, Jiaqi;Yan, Xiaoying;Mi, Shuo;Hong, Song;Lei, Ming;Yin, Xiong;Bai, Lu;Guo, Yanjun;Xu, Rui;Cheng, Zhihai;Wang, Leyu
Molybdenum-Single Atom Catalyst for High-Efficiency Cobalt(III)/(II)-Mediated Hybrid Photovoltaics[期刊论文]，ACS APPLIED ENERGY MATERIALS，2022-10-24
11. 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
12. DOI Li, Meng;Zhang, Ruixue;Gao, Qiushan;Jiang, Huanfeng;Lei, Ming;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
13. DOI Zhang, Peihuan;Li, Zhewei;Liu, Yangqiu;Shi, Fuxing;Wang, Luocong;Pu, Min;Lei, Ming
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
14. DOI Shi, Fuxing;Ren, Xiaochuan;Wang, Haohao;Pu, Min;Liu, Li;Lei, Ming
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
15. DOI Liu, Yangqiu;Qi, Hexiang;Lei, Ming
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
16. DOI Li, Zhewei;Zhang, Huili;Tan, Tianwei;Lei, Ming
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
17. DOI Zhang, Bo;Guo, Tenglong;Li, Zhewei;Kuhn, Fritz E.;Lei, Ming;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
18. DOI Zhou, Ying;Zhao, Yaqi;Shi, Xiaofan;Tang, Yanhui;Yang, Zuoyin;Pu, Min;Lei, Ming
A theoretical study on the hydrogenation of CO2 to methanol catalyzed by ruthenium pincer complexes[期刊论文]，Dalton Transactions，2022-06-01
19. DOI Lei, Ming;Chen, Xingyu;Wang, Yingjie;Zhang, Liran;Zhu, Hong;Wang, Zhiqian
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
20. 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
21. DOI Zhang, Lin;Zhao, Yaqi;Liu, Chong;Pu, Min;Lei, Ming;Cao, Zexing
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
22. DOI Quan, Zhuo;Mao, Li;Tang, Yi-Qi;Lei, Ming;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
23. DOI Zhao, Yaqi;Zhang, Lin;Li, Zhewei;Pu, Min;Lei, Ming
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
24. DOI Zhao, Yaqi;Zhang, Lin;Pu, Min;Lei, Ming
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
25. DOI Wang, Haohao;Zhang, Wei;Liu, Yangqiu;Pu, Min;Lei, Ming
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
26. 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
27. DOI Zhu, Ling;Zhang, Lin;Yang, Zuoyin;Pu, Min;Lei, Ming
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
28. DOI Zhang, Peihuan;Zhang, Yufeng;Li, Zhewei;Gao, Yang;Lei, Ming;Yang, Zuoyin;Pu, Min
Theoretical investigation of Prolyl-Histidine-catalyzed intermolecular aldol reaction[期刊论文]，JOURNAL OF PHYSICAL ORGANIC CHEMISTRY，2021-08-01
29. DOI Xu, Xin;Zhang, Lin;Zhao, Haoqiang;Pan, Yixiao;Li, Jiajie;Luo, Zhenli;Han, Jiahong;Xu, Lijin;Lei, Ming
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
30. DOI Tao, Yuting;Xu, Jinjiang;Zhang, Haobin;Huang, Shiliang;Yang, Zuoyin;Sun, Jie;Lei, Ming
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
31. DOI Zhang, Lin;Wang, Bin;Zhao, Yaqi;Pu, Min;Liu, Shubin;Lei, Ming
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
32. DOI Li, Zhe-wei;Zhang, Lin;Pu, Min;Lei, Ming
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
33. DOI Xiong, Wenfang;Shi, Fuxing;Cheng, Ruixiang;Zhu, Baiyao;Wang, Lu;Chen, Pengquan;Lou, Hongming;Wu, Wanqing;Qi, Chaorong;Lei, Ming;Jiang, Huanfeng
Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide[期刊论文]，ACS CATALYSIS，2020-07-17
34. DOI Wang, Kun;Zhang, Lin;Tang, Weijun;Sun, Huaming;Xue, Dong;Lei, Ming;Xiao, Jianliang;Wang, Chao
Asymmetric Guerbet Reaction to Access Chiral Alcohols[期刊论文]，ANGEWANDTE CHEMIE-INTERNATIONAL EDITION，2020-07-06
35. DOI Liu, Yangqiu;Yue, Xin;Li, Longfei;Li, Zhewei;Zhang, Lin;Pu, Min;Yang, Zuoyin;Wang, Chao;Xiao, Jianliang;Lei, Ming
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
36. 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
37. DOI Luo, Chenguang;Lu, Lin;Zhang, Lin;Yang, Zuoyin;Pu, Min;Yin, Biaolin;Lei, Ming
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
38. 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
39. 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
40. DOI Cao, Zheliang;Zhang, Wei;Ding, Ruiqin;Wang, Ju;Pu, Min;Yang, Zuoyin;Lei, Ming
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
41. 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
42. DOI Yue, Xin;Li, Longfei;Li, Pengjie;Luo, Chenguang;Pu, Min;Yang, Zuoyin;Lei, Ming
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
43. DOI Wang, Qianyue;Li, Longfei;Li, Pengjie;Yue, Xin;Yang, Zuoyin;Pu, Min;Lei, Ming
Ruthenium-catalyzed deoxygenative hydroboration of carboxylic acids: a DFT mechanistic study[期刊论文]，NEW JOURNAL OF CHEMISTRY，2019-08-07
44. DOI Zhang, Wei;Ma, Xue-Lu;Xiao, Hai;Lei, Ming;Lei, Ming;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
45. DOI Lu, Lin;Luo, Chenguang;Peng, Hui;Jiang, Huanfeng;Lei, Ming;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
46. DOI She, Jialuo;Lin, Xiangfeng;Fu, Zaihui;Li, Jianwei;Tang, Senpei;Lei, Ming;Zhang, Xin;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
47. 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
48. DOI Li, Pengjie;Li, Longfei;Yue, Xin;Wang, Qianyue;Pu, Min;Yang, Zuoyin;Lei, Ming
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
49. 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
50. DOI Zhang, Pei-Huan;Pu, Min;Gao, Yang;Zhang, Yu-Feng;Lei, Ming;Yang, Zuo-Yin
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
51. DOI Li, Longfei;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
52. DOI Li, Pengjie;Xi, Yanxia;Li, Longfei;Li, Hui;Sun, Wen-Hua;Lei, Ming
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
53. DOI Wang, Chen-Xi;Pu, Min;Zhang, Pei-Huan;Gao, Yang;Yang, Zuo-Yin;Lei, Ming
Structure Simulation and Host-Guest Interaction of Histidine-Intercalated Hydrotalcite-Montmorillonite Complex[期刊论文]，MINERALS，2018-05-01
54. 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
55. DOI Li, Longfei;Zhu, Huajie;Liu, Li;Song, Datong;Lei, Ming
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2[期刊论文]，INORGANIC CHEMISTRY，2018-03-19
56. DOI Li, Longfei;Lei, Ming;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
57. 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
58. 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
59. 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
60. 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
61. DOI Wang, Jing;He, Lei;Nan, Feng;Wang, Fan;Li, Hongming;Lei, Ming;Li, Longfei;Huang, Qigu;Yang, Wantai
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
62. DOI Ma,Xuelu;Lei,Ming
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
63. DOI Li, Longfei;Lei, Ming;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
64. DOI Xi, Yanxia;Rajendran, Natesan Mannangatti;Zhang, Wenjuan;Sun, Yang;Lei, Ming;Sun, Wen-Hua
Quinolyl-Amidinates Chelating Bimetallic Magnesium and Mononuclear Aluminum Complexes for epsilon-Caprolactone Polymerization[期刊论文]，CHEMISTRYSELECT，2016-11-01
65. DOI Li, Hui;Ma, Xuelu;Zhang, Baohua;Lei, Ming
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
66. 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
67. 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
68. 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
69. 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
70. DOI Li,Longfei;Pan,Yuhui;Lei,Ming
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
71. 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
72. 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
73. DOI Duan,Xinli;Zhang,Min;Zhang,Xin;Wang,Fang;Lei,Ming
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
74. DOI Lei, Ming;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
75. DOI Lei, Ming;Wang, Zhidong;Du, Xiaojie;Zhang, Xin;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
76. DOI Wang Min;Zhang Xin;Chen Zhuo;Tang YanHui;Lei Ming
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
77. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
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
78. 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
79. 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
80. DOI Ma, Xuelu;Tang, Yanhui;Lei, Ming
Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2[期刊论文]，ORGANOMETALLICS，2013-12-09
81. DOI Du, Xiao-Jie;Tang, Yan-Hui;Zhang, Xin;Lei, Ming
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
82. DOI Zhao LiJun;Zhang LiangRen;Lei Ming
3D-QSAR and docking studies on 2-arylbenzoxazole and linker-Y transthyretin amyloidogenesis inhibitors[期刊论文]，SCIENCE CHINA-CHEMISTRY，2013-11-01
83. DOI Ma, Xuelu;Zhang, Xin;Zhang, Wenchao;Lei, Ming
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
84. DOI Feng, Ran;Xiao, Ang;Zhang, Xin;Tang, Yanhui;Lei, Ming
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
85. DOI Yuan, Tianhu;Zhang, Xin;Hu, Zehan;Wang, Fang;Lei, Ming
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
86. DOI Hassan, Mawia;Zhang, Xin;Zhang, Wenchao;Guo, Xiaojia;Chen, Biaohua;Lei, Ming
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
87. DOI Wang, Guilei;Chen, Yue;Zhong, Aiguo;Du, Hongguang;Lei, Ming
A DFT study on formation of bisaryl oxime ether from benzaldehyde and phenoxyamine[期刊论文]，CHEMISTRY LETTERS，2008-06-05

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