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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：30/0  |  提交时间：2015/11/16
Degradation and stabilization of perovskite membranes containing silicon impurity at low temperature 期刊论文
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：20/0  |  提交时间：2015/11/16
Construction of high dimensional potential energy surfaces using neural networks 会议论文
dicp symposium (xxxvii) on theoretical challenges in small molecule dynamics，a satellite meeting of the 15th international congress of quantum chemistry, 中国, 2015-06-02
作者:  Chen J(陈俊);  Xu X(徐昕);  Zhang DH(张东辉)
收藏  |  浏览/下载：8/0  |  提交时间：2015/11/13
Effect of Surface Structure on the Photoreactivity of TiO2 期刊论文
journal of physical chemistry c, 2015, 卷号: 119, 期号: 11, 页码: 6121-6127
作者:  Mao, Xinchun;  Wang, Zhiqiang;  Lang, Xiufeng;  Hao, Qunqing;  Wen, Bo
收藏  |  浏览/下载：31/0  |  提交时间：2015/11/16
Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 19, 页码: 194307
作者:  Zhou Y(周勇);  Zhang DH(张东辉)
收藏  |  浏览/下载：18/0  |  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
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
First-Principles Study of Methanol Oxidation into Methyl Formate on Rutile TiO2(110) 期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 34, 页码: 19859-19868
作者:  Lang, Xiufeng;  Wen, Bo;  Zhou, Chuanyao;  Ren, Zefeng;  Liu, Li-Min
收藏  |  浏览/下载：23/0  |  提交时间：2015/11/16
Communication: Rigorous quantum dynamics of O + O-2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 8, 页码: 081102
作者:  Li, Yaqin;  Sun, Zhigang;  Jiang, Bin;  Xie, Daiqian;  Dawes, Richard
收藏  |  浏览/下载：24/0  |  提交时间：2015/11/16
Coriolis coupling effect of state-to-state quantum dynamics for He + HeH+ 期刊论文
theoretical chemistry accounts, 2014, 卷号: 133, 期号: 10, 页码: 1552
作者:  Wu, Dan;  Guo, Mingxing;  Wang, Yun;  Yin, Shuhui;  Sun, Zhigang
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/16
Communication: Separable potential energy surfaces from multiplicative artificial neural networks 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 2, 页码: 021101
作者:  Koch, Werner;  Zhang, Dong H.
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/16

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