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Combination of Theory and Experiment Achieving a Rational Design of Electrocatalysts for Hydrogen Evolution on the Hierarchically Mesoporous CoS2 Microsphere 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 22, 页码: 13428-13433
Authors:  Wang, Anqi;  Zhang, Man;  Li, Haobo;  Wu, Fan;  Yan, Kai;  Xiao, Jianping
Favorite  |  View/Download:6/0  |  Submit date:2019/07/26
Exceptional stability and chemical mechanism over spinel ZnCr2O4 catalyst for HCl oxidation to Cl-2 期刊论文
MOLECULAR CATALYSIS, 2019, 卷号: 470, 页码: 82-88
Authors:  Tian, Xin;  Guo, Chenxi;  Zhong, Hong;  Zhou, Yonghua;  Xiao, Jianping
Favorite  |  View/Download:2/0  |  Submit date:2019/07/26
Chlorine recycling  HCl catalytic oxidation  Spinel  Zinc chromate  Cobalt chromate  
Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976
Authors:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui
Favorite  |  View/Download:5/0  |  Submit date:2019/06/25
Towards unifying the concepts of catalysis in confined space 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 161, 页码: 58-63
Authors:  Guo, Chenxi;  Xiao, Jianping
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
Authors:  Xu, Zhen-Zhen;  Fan, Hong-Jun
Favorite  |  View/Download:1/0  |  Submit date:2019/06/20
binding enthalpy  conformational search  hydrogen bond  proton transfer  ternary cluster  
Structural Evolution and Electronic Properties of Au2Gen-/0 (n=1-8) Clusters: Anion Photoelectron Spectroscopy and Theoretical Calculations 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 2, 页码: 229-240
Authors:  Lu, Sheng-Jie;  Farooq, Umar;  Xu, Hong-Guang;  Xu, Xi-Ling;  Zheng, Wei-Jun
Favorite  |  View/Download:7/0  |  Submit date:2019/06/25
Photoelectron spectroscopy  Transition metal  Germanium cluster  Structural evolution  Quantum chemical calculations  
Infrared Photodissociation Spectroscopic and Theoretical Study of [Co(CO2)(n)](+) Clusters 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 2, 页码: 223-228
Authors:  Yang, Dong;  Su, Ming-zhi;  Zheng, Hui-jun;  Zhao, Zhi;  Li, Gang;  Kong, Xiang-tao;  Xie, Hua;  Fan, Hong-jun;  Zhang, Wei-qing;  Jiang, Ling
Favorite  |  View/Download:7/0  |  Submit date:2019/06/25
Cationic cobalt  Carbon dioxide  Structure  Infrared photodissociation spectroscopy  Quantum chemical calculation  
Structural evolution and electronic properties of CoSin- (n=3-12) clusters: mass-selected anion photoelectron spectroscopy and quantum chemistry calculations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 11, 页码: 6207-6215
Authors:  Yang, Bin;  Xu, Xi-Ling;  Xu, Hong-Guang;  Farooq, Umar;  Zheng, Wei-Jun
Favorite  |  View/Download:7/0  |  Submit date:2019/06/20
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways? 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 203-211
Authors:  Zhao, Li;  Liu, Jianyong;  Zhou, Panwang
Favorite  |  View/Download:9/0  |  Submit date:2019/06/20
Fluorescent protein  Wavelength dependent  Nonadiabatic process  Photoisomerization  
TDDFT study on aluminum and fluoride dual-sensing mechanism of a Schiff-Base sensor 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 44-51
Authors:  Liu, Dong;  Wang, Jie-Ping;  Li, Guang-Yue;  Zhou, Can-Hua
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Sensor  Fluorescence  Excited state  TICT  ESPT