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Chinese Academy of Sciences Institutional Repositories Grid
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  • 物理化学 [95]
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An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-luster method 期刊论文  OAI收割
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 2, 页码: 024303
作者:  
Chen J(陈俊);  Sun ZG(孙志刚);  Zhang DH(张东辉)
收藏  |  浏览/下载:12/0  |  提交时间:2015/11/16
Degradation and stabilization of perovskite membranes containing silicon impurity at low temperature 期刊论文  OAI收割
journal of membrane science, 2015, 卷号: 492, 期号: 1, 页码: 173-180
作者:  
Liu, Yan;  Zhu, Xuefeng;  Li, Mingrun;  Li, Wenping;  Yang, Weishen
收藏  |  浏览/下载:17/0  |  提交时间:2015/11/16
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system 期刊论文  OAI收割
journal of chemical physics, 2015, 卷号: 142, 期号: 20, 页码: 204302
作者:  
Li, Jun;  Chen, Jun;  Zhao, Zhiqiang;  Xie, Daiqian;  Zhang, Dong H.
收藏  |  浏览/下载:22/0  |  提交时间:2015/11/16
Mixed ionic-electronic conducting (MIEC) membranes for hydrogen production from water splitting 期刊论文  OAI收割
international journal of hydrogen energy, 2015, 卷号: 40, 期号: 8, 页码: 3452-3461
作者:  
Li, Wenping;  Zhu, Xuefeng;  Cao, Zhongwei;  Wang, Weiping;  Yang, Weishen
收藏  |  浏览/下载:13/0  |  提交时间:2015/11/16
Triggering the electrocatalytic hydrogen evolution activity of the inert two-dimensional MoS2 surface via single-atom metal doping 期刊论文  OAI收割
energy & environmental science, 2015, 卷号: 8, 期号: 5, 页码: 1594-1601
作者:  
Deng, Jiao;  Li, Haobo;  Xiao, Jianping;  Tu, Yunchuan;  Deng, Dehui
收藏  |  浏览/下载:178/0  |  提交时间:2015/11/16
Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion 期刊论文  OAI收割
journal of chemical physics, 2014, 卷号: 141, 期号: 23, 页码: 235101
作者:  
Zhao, Li;  Zhou, Pan-Wang;  Li, Bin;  Gao, Ai-Hua;  Han, Ke-Li
收藏  |  浏览/下载:16/0  |  提交时间:2015/11/16
Global Potential Energy Surface for the H+CH4 <-> H2+CH3 Reaction using Neural Networks 期刊论文  OAI收割
chinese journal of chemical physics, 2014, 卷号: 27, 期号: 4, 页码: 373
作者:  
Xu X(徐昕);  Chen J(陈俊);  Zhang DH(张东辉)
收藏  |  浏览/下载:7/0  |  提交时间:2015/11/16
Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu(111) surface: A quantum dynamics study on two potential energy surfaces 期刊论文  OAI收割
journal of chemical physics, 2014, 卷号: 141, 期号: 19, 页码: 194302
作者:  
Liu TH(刘天辉);  Fu BN(傅碧娜);  Zhang DH(张东辉)
收藏  |  浏览/下载:18/0  |  提交时间:2015/11/16
Time-dependent quantum wave packet and quasiclassical trajectory studies of the Au(S-2) + H-2(X-1 n-ary sumation (+)(g)) -> AuH(X-1 n-ary sumation (+)(g)) + H(S-2) reaction 期刊论文  OAI收割
molecular physics, 2014, 卷号: 112, 期号: 22, 页码: 2945-2953
作者:  
Yuan, Jiuchuang;  Cheng, Dahai;  Sun, Zhigang;  Chen, Maodu
收藏  |  浏览/下载:16/0  |  提交时间:2015/11/16
Nitrogen-doped hierarchically porous carbon as efficient oxygen reduction electrocatalysts in acid electrolyte 期刊论文  OAI收割
journal of materials chemistry a, 2014, 卷号: 2, 期号: 40, 页码: 17047-17057
作者:  
Zhong, Hexiang;  Deng, Chengwei;  Qiu, Yanling;  Yao, Lan;  Zhang, Huamin
收藏  |  浏览/下载:17/0  |  提交时间:2015/11/16