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quantum dynamics studies of ployatomic chemical reactions:from gas-phase to gas-surface 会议论文
dynamics of molecular collisions xxv, 美国, 2015-07-12
作者:  Zhang DH(张东辉)
收藏  |  浏览/下载：10/0  |  提交时间：2015/11/13
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
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
Quantum dynamics study of H + DBr and D + HBr reaction 期刊论文
journal of molecular modeling, 2014, 卷号: 20, 期号: 1, 页码: 2367
作者:  Zhang AJ(张爱杰);  JianFengJia;  HaiShunWu;  He GZ(何国钟)
收藏  |  浏览/下载：22/0  |  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
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
Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach 期刊论文
journal of physical chemistry a, 2014, 卷号: 118, 期号: 42, 页码: 9801-9810
作者:  Li, Wentao;  Zhang, Dong H.;  Sun, Zhigang
收藏  |  浏览/下载：17/0  |  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：22/0  |  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：15/0  |  提交时间：2015/11/16
Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method 期刊论文
journal of chemical physics, 2014, 卷号: 140, 期号: 16, 页码: 164108
作者:  Zhao, Bin;  Zhang, Dong-H;  Lee, Soo-Y;  Sun, Zhigang
收藏  |  浏览/下载：22/0  |  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 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

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