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H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals 期刊论文
journal of chemical physics, 2015, 卷号: 142, 期号: 8, 页码: 084107
作者:  Su NQ(苏乃强);  Chen J(陈俊);  Sun ZG(孙志刚);  Zhang DH(张东辉);  Xu X(徐昕)
收藏  |  浏览/下载：29/0  |  提交时间：2015/11/16
Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface 期刊论文
journal of chemical physics, 2014, 卷号: 140, 期号: 14, 页码: 144701
作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：16/0  |  提交时间：2014/09/11
Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks 期刊论文
science china-chemistry, 2014, 卷号: 57, 期号: 1, 页码: 147-155
作者:  Liu TianHui;  Fu BiNa;  Zhang Dong H
收藏  |  浏览/下载：21/0  |  提交时间：2014/09/11
Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface 期刊论文
journal of chemical physics, 2013, 卷号: 139, 期号: 18, 页码: 184705
作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：21/0  |  提交时间：2014/09/11
Improving the performance of quantum dot-sensitized solar cells by using TiO2 nanosheets with exposed highly reactive facets 期刊论文
nanotechnology, 2013, 卷号: 24, 期号: 24, 页码: 245401
作者:  You, Ting;  Jiang, Lei;  Han, Ke-Li;  Deng, Wei-Qiao
收藏  |  浏览/下载：24/0  |  提交时间：2014/09/11
Quantum dynamics study on the exchange H + OH+ reaction 期刊论文
computational and theoretical chemistry, 2013, 卷号: 1012, 页码: 1-7
作者:  Xu, Wenwu;  Li, Wenliang;  Zhang, Peiyu
收藏  |  浏览/下载：22/0  |  提交时间：2014/09/11
Photophysical Properties of Self-Assembled Multinuclear Platinum Metallacycles with Different Conformational Geometries 期刊论文
journal of the american chemical society, 2013, 卷号: 135, 期号: 17, 页码: 6694-6702
作者:  Chen, Jun-Sheng;  Zhao, Guang-Jiu;  Cook, Timothy R.;  Han, Ke-Li;  Stang, Peter J.
收藏  |  浏览/下载：21/0  |  提交时间：2014/09/11
Structure and Basicity of Microporous Titanosilicate ETS-10 and Vanadium-Containing ETS-10 期刊论文
journal of physical chemistry c, 2012, 卷号: 116, 期号: 32, 页码: 17124-17133
作者:  Guo, Meiling;  Pidko, Evgeny A.;  Fan, Fengtao;  Feng, Zhaochi;  Hofmann, Jan P.
收藏  |  浏览/下载：16/0  |  提交时间：2013/10/11
Theoretical studies of ground and excited electronic states in a series of heteroleptic iridium complexes using density functional theory 期刊论文
international journal of quantum chemistry, 2012, 卷号: 112, 期号: 11, 页码: 2422-2428
作者:  Su, Yan;  Kang, Li-Hua
收藏  |  浏览/下载：54/0  |  提交时间：2013/10/11
Recent density functional theory model calculations of drug metabolism by cytochrome P450 期刊论文
coordination chemistry reviews, 2012, 卷号: 256, 期号: 11-12, 页码: 1137-1150
作者:  Li, Dongmei;  Wang, Yong;  Han, Keli
收藏  |  浏览/下载：14/0  |  提交时间：2013/10/11

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