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Structures and stability of adsorbed methanol on TiO2 (110) surface studied by ab initio thermodynamics and kinetic Monte Carlo simulation 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 10, 页码: 8
Authors:  Sun, Keju;  Su, Hai-Yan;  Li, Wei-Xue
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Methanol adsorption  TiO2 (110) surface  Ab initio thermodynamics  Kinetic Monte Carlo  Temperature-programmed desorption simulation  
CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 18, 页码: 9588-9597
Authors:  Goldsmith, Bryan R.;  Sanderson, Evan D.;  Ouyang, Runhai;  Li, Wei-Xue
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Coordination Number of Li+ in Nonaqueous Electrolyte Solutions Determined by Molecular Rotational Measurements 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 13, 页码: 3689-3695
Authors:  Yuan, Kaijun;  Bian, Hongtao;  Shen, Yuneng;  Jiang, Bo;  Li, Jiebo;  Zhang, Yufan;  Chen, Hailong;  Zheng, Junrong;  Zheng JR(郑俊荣)
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Cation effect in the ionic solution optical Kerr effect measurements: A simulation study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 5, 页码: 054507
Authors:  Zhang, Ruiting;  Zhuang, Wei;  Zhuang W(庄巍)
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Membranes with well-defined ions transport channels fabricated via solvent-responsive layer-by-layer assembly method for vanadium flow battery 期刊论文
SCIENTIFIC REPORTS, 2014, 卷号: 4, 期号: 1, 页码: 4016
Authors:  Xu, Wanxing;  Li, Xianfeng;  Cao, Jingyu;  Zhang, Hongzhang;  Zhang, Huamin;  Li XF(李先锋);  Zhang HM(张华民)
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An atomistic thermodynamics study of the structural evolution of the Pt3Ni(111) surface in an oxygen environment 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2013, 卷号: 34, 期号: 7, 页码: 1434-1442
Authors:  Sun Dapeng;  Zhao Yonghui;  Su Haiyan;  Li Weixue;  Li WX(李微雪)
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Pt3ni  Oxygen  Segregation  Phase Diagram  Ab Initio Calculation  
Improved reversible hydrogen storage of LiAlH4 by nano-sized TiH2 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2013, 卷号: 38, 期号: 6, 页码: 2770-2777
Authors:  Liu, Shu-Sheng;  Li, Zhi-Bao;  Jiao, Cheng-Li;  Si, Xiao-Liang;  Yang, Li-Ni;  Zhang, Jian;  Zhou, Huai-Ying;  Huang, Feng-Lei;  Gabelica, Zelimir;  Schick, Christoph;  Sun, Li-Xian;  Xu, Fen;  Sun LX(孙立贤)
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Titanium Hydride  Alanate  Catalyst  Dehydrogenation  Regeneration  
Investigating the Structural Origin of Trpzip2 Temperature Dependent Unfolding Fluorescence Line Shape Based on a Markov State Model Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 卷号: 116, 期号: 42, 页码: 12669-12676
Authors:  Song, Jian;  Gao, Fang;  Cui, Raymond Z.;  Shuang, Feng;  Liang, Wanzhen;  Huang, Xuhui;  Zhuang, Wei;  Zhuang W(庄巍)
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Metal Amidoboranes: Superior Double-Hydrogen-Transfer Agents in the Reduction of Ketones and Imines 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2012, 卷号: 18, 期号: 43, 页码: 13885-13892
Authors:  Xu, Weiliang;  Wu, Guotao;  Yao, Wei;  Fan, Hongjun;  Wu, Jishan;  Chen, Ping;  Fan HJ(樊红军);  Chen P(陈萍)
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Hydrogenation  Imines  Ketones  Metal Amidoboranes  Reduction  
Thermodynamics study of hydrogen storage materials 期刊论文
JOURNAL OF CHEMICAL THERMODYNAMICS, 2012, 卷号: 46, 页码: 86-93
Authors:  Song, Lifang;  Wang, Shuang;  Jiao, Chengli;  Si, Xiaoliang;  Li, Zhibao;  Liu, Shuang;  Liu, Shusheng;  Jiang, Chunhong;  Li, Fen;  Zhang, Jian;  Sun, Lixian;  Xu, Fen;  Huang, Fenglei;  Sun LX(孙立贤);  Xu F(徐芬)
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Ammonia Borane  Complex Hydride  Hydrogen Storage Materials  Metal-organic Frameworks  Thermodynamics