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Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
Authors:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
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Xyg3  Doubly Hybrid  Density Functional Theory  Potential Energy Surface  Quantum Dynamics  Rate Coefficients  
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
Authors:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
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Xyg3  Doubly Hybrid  Density Functional Theory  Potential Energy Surface  Quantum Dynamics  Rate Coefficients  
Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文
NANO ENERGY, 2017, 卷号: 39, 页码: 1-8
Authors:  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Hao, Ce;  Wang, Aiqin;  Zhang, Tao;  Shi, Yantao
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Single-atom Electrocatalysis  Photovoltaics  Counter Electrodes  Density Function Theory  
Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文
NANO ENERGY, 2017, 卷号: 39, 页码: 1-8
Authors:  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Hao, Ce;  Wang, Aiqin;  Zhang, Tao;  Shi, Yantao
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Single-atom Electrocatalysis  Photovoltaics  Counter Electrodes  Density Function Theory  
Mechanism of Polysulfone-Based Anion Exchange Membranes Degradation in Vanadium Flow Battery 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2015, 卷号: 7, 期号: 34, 页码: 19446-19454
Authors:  Yuan, Zhizhang;  Li, Xianfeng;  Zhao, Yuyue;  Zhang, Huamin
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Degradation Mechanism  Polysulfone  Hybrid Orbital  4  Anion Exchange Membranes  4 '-bipyridine  Vanadium Flow Battery  
A Single 2—(2’—Hydroxyphenyl)benzothiazole Derivative Can Achieve Pure White—Light Emission 期刊论文
Chemistry-An Asian Journal, 2015, 卷号: 9, 期号: 11, 页码: 3215
Authors:  成金玲;  DiLiu;  LijunBao;  KaiXu;  杨阳;  韩克利
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On the photoelectron velocity-map imaging of lutetium monoxide anion LuO− 期刊论文
Journal of Chemical Physics, 2015, 卷号: 140, 期号: 3, 页码: 034312
Authors:  Liu ZL(刘志凌);  Xie H(谢华);  Li QJ(李泉江);  Qin ZB(秦正波);  Cong R(从然);  Wu X(吴侠);  Tang ZC(唐紫超);  Fan HJ(樊红军)
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Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: A DFT/TD-DFT study 期刊论文
CHEMICAL PHYSICS LETTERS, 2015, 卷号: 610—611, 期号: 1, 页码: 179
Authors:  Wang DD(王丹丹);  RuiLü;  Yuan MH(袁明虎);  Chen JS(陈俊生);  Feng LQ(冯立强);  AipingFu;  FenghuiTian;  AntónioJ.C.Varandasd;  Chu TS(楚天舒)
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Chapter 9 Simulating the Peptide Folding Kinetic Related Spectra Based on the Markov State Model 期刊论文
Advances in Experimental Medicine and Biology, 2014, 卷号: 805, 期号: 1, 页码: 199
Authors:  Song J(宋建);  Zhuang W(庄巍)
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10 Non-precious Metal Oxides and Metal Carbides for ORR in Alkaline-Based Fuel Cells 期刊论文
Non-Noble Metal Fuel Cell Catalysts, 2014, 期号: 1, 页码: 357
Authors:  Chu WL(楚文玲);  DrewHiggins;  ZhongweiChen;  Cai R(蔡睿)
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