北京化工大学张欣个人主页-教授-化学学院

论文信息

[+][-]代表性论文

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-] 2030年

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-] 2029年

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-] 2028年

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-] 2027年

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-] 2026年

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-] 2025年

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-] 2024年

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-] 2023年

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

[+][-]2023年之前

1. DOI 邓园,王思,丰海松,张欣
Pd催化糠醛加氢反应中溶剂依赖效应的理论计算[期刊论文]，高等学校化学学报，2023-02-10
2. DOI 靳兰,马伊蕊,鲁琦,胡耀峰,楚进锋,龙新,张欣,陈咏梅
对氨基苯磺酸锌配合物的绿色合成及结构表征[期刊论文]，大学化学.，2022-09-17
3. DOI 丰海松,丁虎,贺培楠,王思,李泽洋,郑子康,杨宇森,卫敏,张欣
Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction[期刊论文]，J. Mater. Chem. A，2022-08-08
4. DOI 尹番,孟浩,王雷,赖英杰,揭垚,余俊,刘巍,赵晓婕,沈天耀,张欣,韩景宾,杨宇森,鄢红,卫敏
Theoretical and Experimental Exploration on NiM(111) (M = Fe, Co, Cu, Zn) Bimetallic Catalysts for Water-Gas Shift Reaction[期刊论文]，J. Mater. Chem. A，2022-07-13
5. DOI 丰海松,丁虎,王思,梁玉洁,Deng, Yuan,杨宇森,卫敏,张欣
Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation[期刊论文]，ACS Applied Materials & Interfaces，2022-06-08
6. DOI 刘巍,丰海松,杨宇森,Niu, Yiming,王雷,Yin, Pan,洪崧,Zhang, Bingsen,张欣,卫敏
Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes[期刊论文]，Nature Communications，2022-06-08
7. DOI 周颖,贺培楠,丰海松,张欣
双原子位点M-N-C电催化剂在CO2还原反应中活性位点的最佳分布[期刊论文]，高等学校化学学报，2022-02-10
8. DOI Peng, Bei,石雅雯,张欣,Lv, Peiwen
Top-down fabrication of Ti doped BiVO4 nanosheets for efficient water oxidation under visible light[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-10-22
9. DOI 任祯,杨宇森,王思,李晓林,丰海松,王雷,李彦萌,张欣,卫敏
Pt atomic clusters catalysts with local charge transfer towards selective oxidation of furfural[期刊论文]，Applied Catalysis B-Environmental，2021-10-15
10. DOI Yin, Pan,余俊,王雷,张健,揭垚,陈利芳,赵晓婕,丰海松,杨宇森,徐明,张欣,韩景宾,鄢红,卫敏
Water-Gas-Shift Reaction on Au/TiO2-x Catalysts with Various TiO2 Crystalline Phases: A Theoretical and Experimental Study[期刊论文]，JOURNAL OF PHYSICAL CHEMISTRY C，2021-09-23
11. DOI 张蕴齐,谢文富,马嘉苓,陈利芳,陈春源,张欣,邵明飞
Active facet determination of layered double hydroxide for oxygen evolution reaction[期刊论文]，JOURNAL OF ENERGY CHEMISTRY，2021-09-01
12. DOI 陈利芳,刘巍,丰海松,任颖瑜,陈春源,王思,Yin, Pan,杨宇森,张欣,卫敏
Oxygen binding energy of doped metal: a shortcut to efficient Ni-based bimetallic catalysts for the hydrodeoxygenation reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2021-04-01
13. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-ordered active sites in NiMo intermetallic compound toward low-pressure hydrodeoxygenation of furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2021-03-01
14. DOI 张欣,贺培楠
浅谈物理化学中过渡态的搜索方法[期刊论文]，大学化学，2021-02-08
15. DOI Zhou Chen,Bin Hua,张欣,陈利芳,Ya-Qian Zhang,Guangming Yang,Gang Wan,Hua Zhou,Yanling Yang,Jian Chen,Hongqiang Fan,Qian Li,Meng Li,Jianhui Li,Wei Zhou,Zongping Shao,Jing-Li Luo,Yifei Sun
Organic Photochemistry-Assisted Nanoparticle Segregation on Perovskites[期刊论文]，Cell Reports Physical Science，2020-11-18
16. DOI 王思,马嘉苓,陈利芳,张欣
Role of Synergistic Effect in Oxygen Evolution Reaction over Layered Double Hydroxide[期刊论文]，ACTA CHIMICA SINICA，2020-11-06
17. DOI 李经方,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerization[期刊论文]，JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY，2020-11-01
18. DOI 刘巍,杨宇森,陈利芳,许恩泽,徐家明,洪崧,张欣,卫敏
Atomically-Ordered Active Sites in NiMo Intermetallic Compound toward Low-Pressure Hydrodeoxygenation of Furfural[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-09-18
19. DOI 王慧敏,邴威瀚,陈春源,杨宇森,徐明,陈利芳,郑雷,李晓林,张欣,殷建军,卫敏
Geometric effect promoted hydrotalcites catalysts towards aldol condensation reaction[期刊论文]，Chinese Journal of Catalysis，2020-08-05
20. DOI li jingfang,张欣,聂俊,朱晓群
Visible light and water-soluble photoinitiating system based on the charge transfer complex for free radical photopolymerizatio[期刊论文]，Journal of Photochemistry & Photobiology: A Chemistry，2020-07-24
21. DOI Jingfang Li,张欣,聂俊,朱晓群
Visible Light and Water-Soluble Photoinitiating System Based on the Charge Transfer Complex for Free Radical Photopolymerization[期刊论文]，J. Photoch. Photobio. A，2020-07-24
22. DOI Junwei Lucas Bao,Bradley K. Welch,Inga S. Ulusoy,张欣,Xuefei Xu,Angela K. Wilson,Donald G. Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium？Ligand Bonds[期刊论文]，J. Phys. Chem. A，2020-07-16
23. DOI 陈利芳,Ye, Jingyun,杨宇森,Yin, Pan,丰海松,陈春源,张欣,卫敏,Truhlar, Donald G.
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS CATALYSIS，2020-07-02
24. DOI Huaisheng Ao,陈春源,Zhiguo Hou,Wenlong Cai,Mengke Liu,Yueang Jin,张欣,Yongchun Zhu,Yitai Qian
Electrolyte solvation structure manipulation enables safe and stable aqueous sodium ion batteries[期刊论文]，J. Mater. Chem. A,，2020-06-26
25. DOI 余俊,杨宇森,陈利芳,栗振华,刘巍,许恩泽,张芫婧,洪崧,张欣,卫敏
NiBi intermetallic compounds catalyst toward selective hydrogenation of unsaturated aldehydes[期刊论文]，APPLIED CATALYSIS B-ENVIRONMENTAL，2020-06-25
26. DOI Hu, Zequan,Wang, Si,张欣,范国利,Lv, Yingdi,Zheng, Xiaodong,杨兰,李峰
Simultaneous Enhancements of Ultraviolet-Shielding Properties and Thermal Stability/Photostability of Poly(vinyl chloride) via Incorporation of Defect-Rich CeO2 Nanoparticles[期刊论文]，INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH，2020-05-27
27. DOI 陈利芳,叶静云,杨宇森,尹番,丰海松,陈春源,张欣,卫敏,Donald G. Truhlar
Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2？Methylfuran at Terrace, Step, and Corner Sites on Ni[期刊论文]，ACS Catal.，2020-05-15
28. DOI 尹番,杨宇森,陈利芳,徐明,陈春源,赵晓婕,张欣,鄢红,卫敏
DFT Study on the Mechanism of the Water Gas Shift Reaction Over NixPy Catalysts: The Role of P[期刊论文]，The Journal of Physical Chemistry C，2020-03-03
29. DOI 刘宁,Yin, Pan,Xu, Ming,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,Man, Yi,张欣,卫敏
The catalytic mechanism of the Au@TiO2-x/ZnO catalyst towards a low-temperature water-gas shift reaction[期刊论文]，CATALYSIS SCIENCE & TECHNOLOGY，2020-02-07
30. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,王斌,张欣,郑黎荣,洪崧,卫敏
Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis[期刊论文]，Nat. Commun，2019-12-20
31. DOI 张茜,崔国庆,丰海松,陈利芳,王辉,Wang, Bin,张欣,Zheng, Lirong,洪崧,卫敏
Platinum-copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis[期刊论文]，NATURE COMMUNICATIONS，2019-12-20
32. DOI 刘宁,尹番,徐明,杨宇森,张少敏,张俊博,孟肖宇,张健,余俊,满毅,张欣,卫敏
Catalytic mechanism of Au@TiO2？x/ZnO catalyst towards lowtemperature water-gas shift reaction[期刊论文]，Catal. Sci. Technol.，2019-12-11
33. DOI 郭轩,Ruiming Zhang,Lugem Gao,张欣,许雪飞
Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-28
34. DOI 丰海松,郭轩,张慧,陈利芳,尹番,陈春源,段欣丽,张欣,卫敏
Mechanistic insights into artificial metalloenzymes towards imine reduction[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2019-11-14
35. DOI Li, Jianbo,Chen, Chunyuan,Chen, Yuwei,栗振华,Xie, Wenfu,张欣,邵明飞,卫敏
Polysulfide Confinement and Highly Efficient Conversion on Hierarchical Mesoporous Carbon Nanosheets for Li-S Batteries[期刊论文]，ADVANCED ENERGY MATERIALS，2019-11-01
36. DOI Tim Risthaus,陈利芳,Jun Wang,Jinke Li,Dong Zhou,Li Zhang,De Ning,Xia Cao,张欣,Gerhard Schumacher,Martin Winter,Elie Paillard,Jie Li
P3 Na0.9Ni0.5Mn0.5O2 Cathode Material for Sodium Ion Batteries[期刊论文]，CHEMISTRY OF MATERIALS，2019-08-13
37. DOI Ma, Kun,Li, Yawen,Wang, Zhenguo,Chen, Yuzhi,张欣,Chen, Chunyuan,Yu, Hao,Huang, Jia,Yang, Zhiying,Wang, Xuefei,王卓
Core-Shell Gold Nanorod@Layered Double Hydroxide Nanomaterial with Highly Efficient Photothermal Conversion and Its Application in Antibacterial and Tumor Therapy[期刊论文]，ACS Applied Materials & Interfaces，2019-08-06
38. DOI Junli Shi,Niloofar Ehteshami,Jialing Ma,Hui Zhang,Haidong Liu,张欣,Jie Li,Elie Paillard
Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive[期刊论文]，Journal of Power Sources，2019-07-31
39. DOI 陈玉芝,Wenting Ai,郭轩,Y awen Li,Yufan Ma,陈利芳,张慧,Tongxin Wang,张欣,王卓
Mitochondria-T argeted Polydopamine Nanocomposite with AIE Photosensitizer for Image-Guided Photodynamic and Photothermal T umor Ablation[期刊论文]，SMALL，2019-06-11
40. DOI 杨宇森,陈利芳,陈宇迪,刘巍,丰海松,王斌,张欣,卫敏
The Selective Hydrogenation of Furfural over Intermetallic Compounds with Outstanding Catalytic Performance[期刊论文]，Green Chem.，2019-05-19
41. DOI 李梦媛,陈利芳,Shuteng Ye,范国利,杨兰,张欣,李峰
Dispersive Non-noble Metal Phosphide Embedded in Alumina Arrays Derived from Layered Double Hydroxide Precursor toward Efficient Oxygen Evolution Reaction and Biomass Upgrading[期刊论文]，J. Mater. Chem. A，2019-05-08
42. DOI 孟肖宇,杨宇森,陈利芳,徐明,张欣,卫敏
A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts[期刊论文]，ACS Catalysis，2019-04-02
43. DOI She, Jialuo,Lin, Xiangfeng,Fu, Zaihui,李建伟,Tang, Senpei,雷鸣,张欣,Zhang, Chao,Yin, Dulin
HCl and O2 co-activated bis(8-quinolinolato) oxovanadium(iv) complexes as efficient photoactive species for visible light-driven oxidation of cyclohexane to KA oil[期刊论文]，Catal. Sci. Technolog.，2019-01-01
44. DOI Xin He,Bo Yan,张欣,Zigeng Liu,Dominic Bresser,Jun Wang,Rui Wang,Xia Cao,Yixi Su,Hao Jia,Clare P. Grey,Henrich Frielinghaus,Donald G. Truhlar,Martin Winter,Jie Li,Elie Paillard
Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.[期刊论文]，NATURE COMMUNICATIONS，2018-12-14
45. DOI 杨宇森,饶德明,陈宇迪,董思源,王斌,张欣,卫敏
Selective hydrogenation of cinnamaldehyde over Co-based intermetallic compounds derived from layered double hydroxides[期刊论文]，ACS Catalysis，2018-11-07
46. DOI 刘巍,孙嘉略,张欣,卫敏
Supported Ag catalysts on Mg？Al oxides toward oxidant-free dehydrogenation reaction of benzyl alcohol[期刊论文]，Ind. Eng. Chem. Res.，2018-11-01
47. 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
48. DOI 李印文,张欣,卫敏
New development in Fe/Co catalysts: Structure modulation and performance optimization for syngas conversion[期刊论文]，Chinese Journal of Catalysis，2018-08-05
49. DOI 张欣,张慧
3D-QSAR studies on 1,2,4-triazolyl 5-azaspiro [2.4]-heptanes as D3R antagonists[期刊论文]，CHEMICAL PHYSICS LETTERS，2018-07-16
50. DOI Mei, Xuan,Ma, Jialing,Bai, Xue,张欣,Zhang, Shaomin,梁瑞政,卫敏,Evans, David G.,段雪
A bottom-up synthesis of rare-earth-hydrotalcite monolayer nanosheets toward multimode imaging and synergetic therapy[期刊论文]，CHEMICAL SCIENCE，2018-07-07
51. DOI 王卓,陈玉芝,张慧,Yawen Li,Yufan Ma,Jia Huang,Xiaolei Liu,Fang Liu,Tongxin Wang,张欣
Mitochondria-Targeting Polydopamine Nanocomposites as Chemophotothermal Therapeutics for Cancer[期刊论文]，Bioconjugate Chem.，2018-06-21
52. DOI Qian Wang,陈利芳,Shaoliang Guan,张欣,Bin Wang,Xingzhong Cao,Zhi Yu,Yufei He,David G. Evans,冯俊婷,李殿卿
Ultrathin and Vacancy-Rich CoAl-Layered Double Hydroxide/Graphite Oxide Catalysts: Promotional Effect of Cobalt Vacancies and Oxygen Vacancies in Alcohol Oxidation.[期刊论文]，ACS Catalysis，2018-03-07
53. DOI 张慧,张欣,Donald G. Truhlar,Xuefei Xu
Nonmonotonic Temperature Dependence of the PressureDependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory[期刊论文]，J. Phys. Chem. A，2017-11-02
54. DOI Bao, Junwei Lucas,张欣,Xu, Xuefei,Truhlar, Donald G.
Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2017-01-01
55. DOI 张欣,赵媛,Honggao Yan,Zexing Cao,Yirong Mo
Combined QM (DFT)/MM Molecular Dynamics Simulations of the Deamination of Cytosine by Yeast Cytosine Deaminase (yCD).[期刊论文]，Journal of Computational Chemistry，2016-12-06
56. DOI 张欣,Zhao, Yuan,Duan, Xinli,Zhang, Hui N.,Cao, Zexing,Mo, Yirong
Mechanisms for the deamination reaction of 8-oxoguanine catalyzed by 8-oxoguanine deaminase: A combined QM/MM molecular dynamics study[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2016-12-01
57. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory[期刊论文]，PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA，2016-11-29
58. DOI Bao, Junwei Lucas,张欣,Truhlar, Donald G.
Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2016-07-07
59. DOI Duan, Xinli,张欣,Xu, Binglin,王芳,雷鸣
Computational Study and Modified Design of Selective Dopamine D-3 Receptor Agonists[期刊论文]，CHEMICAL BIOLOGY & DRUG DESIGN，2016-07-01
60. DOI 张益伟,马雪璐,张欣,雷鸣
邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究[期刊论文]，化学学报，2016-04-15
61. 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
62. DOI Duan,Xinli,Zhang,Min,张欣,Wang,Fang,雷鸣
Molecular modeling and docking study on dopamine D 2 -like and serotonin 5-HT 2A receptors[期刊论文]，Journal of Molecular Graphics and Modelling，2015-04-01
63. DOI 雷鸣,Wang, Zhidong,Du, Xiaojie,张欣,Tang, Yanhui
Asymmetric Hydroformylation Catalyzed by RhH ( CO )( 2 )[( R,S )- Yanphos ]: Mechanism and Origin of Enantioselectivity[会议论文]，JOURNAL OF PHYSICAL CHEMISTRY A，2014-10-02
64. DOI Wang Min,张欣,Chen Zhuo,Tang YanHui,雷鸣
A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes[期刊论文]，SCIENCE CHINA-CHEMISTRY，2014-09-01
65. DOI Du, Xiao-Jie,Tang, Yan-Hui,张欣,雷鸣
A theoretical study on the alkene insertion step in Rh-Yanphos catalyzed hydroformylation[期刊论文]，CHINESE CHEMICAL LETTERS，2013-12-01
66. DOI 张欣,雷鸣
WHICH IS THE PROTON-SHUTTLE IN ISOXANTHOPTERIN DEAMINASE? QM/MM MD UNDERSTANDING[期刊论文]，JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY，2013-12-01
67. DOI Ma, Xuelu,张欣,Zhang, Wenchao,雷鸣
CO assisted N-2 functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2013-01-01
68. DOI Feng, Ran,Xiao, Ang,张欣,Tang, Yanhui,雷鸣
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study[期刊论文]，DALTON TRANSACTIONS，2013-01-01
69. DOI Yuan, Tianhu,张欣,Hu, Zehan,王芳,雷鸣
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer[期刊论文]，BIOPOLYMERS，2012-12-01
70. DOI Hassan, Mawia,张欣,Zhang, Wenchao,Guo, Xiaojia,Chen, Biaohua,雷鸣
How Does Methanol Assist the Hydrogen Transfer in Pd-catalyzed Cyclocarbonylation of Allylic Alcohols? Insights from a DFT Study[期刊论文]，CHEMISTRY LETTERS，2012-07-05
71. DOI 张欣,Guo, Xiaojia,Chen, Yue,Tang, Yanhui,雷鸣,Fang, Weihai
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study[期刊论文]，PHYSICAL CHEMISTRY CHEMICAL PHYSICS，2012-01-01

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