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An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 期号: 13, 页码: 8
Authors:  Zhao, Hailin;  Umer, Umair;  Hu, Xixi;  Xie, Daiqian;  Sun, Zhigang
Favorite  |  View/Download:8/0  |  Submit date:2019/06/20
Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 23
Authors:  Wu, Tao;  Sun, Lei;  Shi, Qi;  Deng, Kaiming;  Deng, Weiqiao;  Lu, Ruifeng
Favorite  |  View/Download:32/0  |  Submit date:2017/10/29
A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 18
Authors:  Zhao, Bin;  Sun, Zhigang;  Guo, Hua
Favorite  |  View/Download:22/0  |  Submit date:2017/10/29
A reactant-coordinate-based wave packet method for full-dimensional state-to-state quantum dynamics of tetra-atomic reactions: Application to both the abstraction and exchange channels in the H + H2O reaction 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 6
Authors:  Zhao, Bin;  Sun, Zhigang;  Guo, Hua
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-luster method 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 2, 页码: 024303
Authors:  Chen J(陈俊);  Sun ZG(孙志刚);  Zhang DH(张东辉)
Adobe PDF(4652Kb)  |  Favorite  |  View/Download:54/22  |  Submit date: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
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 20, 页码: 204302
Authors:  Li, Jun;  Chen, Jun;  Zhao, Zhiqiang;  Xie, Daiqian;  Zhang, Dong H.;  Guo, Hua;  Li J(李军);  Zhang DH(张东辉)
Adobe PDF(1591Kb)  |  Favorite  |  View/Download:103/54  |  Submit date:2015/11/16
Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 14, 页码: 144109
Authors:  Wang, Zhifan;  Hu, Shu;  Wang, Fan;  Guo, Jingwei;  FanWang
Adobe PDF(635Kb)  |  Favorite  |  View/Download:82/43  |  Submit date:2015/11/16
Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 23, 页码: 235101
Authors:  Zhao, Li;  Zhou, Pan-Wang;  Li, Bin;  Gao, Ai-Hua;  Han, Ke-Li;  Han KL(韩克利)
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Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H-2/D-2 + OH -> H/D + H2O/HOD 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 15
Authors:  Zhao, Bin;  Sun, Zhigang;  Guo, Hua
Favorite  |  View/Download:14/0  |  Submit date:2015/11/13
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
Authors:  Li, Yaqin;  Sun, Zhigang;  Jiang, Bin;  Xie, Daiqian;  Dawes, Richard;  Guo, Hua;  Sun ZG(孙志刚);  RichardDawes;  Guo H(郭华)
Adobe PDF(521Kb)  |  Favorite  |  View/Download:79/41  |  Submit date:2015/11/16