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浏览/检索结果: 共8条，第1-8条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序作者升序作者降序提交时间升序提交时间降序题名升序题名降序 Nonadiabatic effects in the H+H-2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level 期刊论文 journal of chemical physics, 2009, 卷号: 130, 期号: 14 作者:  Chu, Tian-Shu;  Han, Ke-Li;  Hankel, Marlies;  Balint-Kurti, Gabriel G.;  Kuppermann, Aron 收藏  |  浏览/下载：14/0  |  提交时间：2015/11/12 atom-molecule reactions  chemical exchanges  ground states  hydrogen neutral atoms  hydrogen neutral molecules  potential energy surfaces  reaction kinetics theory  vibrational modes   INITIAL ROTATIONAL QUANTUM STATE EXCITATION AND ISOTOPIC EFFECTS FOR THE O(D-1) plus HCl -> OH plus Cl (OCl plus H) REACTION 期刊论文 journal of theoretical & computational chemistry, 2009, 卷号: 8, 页码: 1003-1024 作者:  Yang, Huan;  Han, Ke-Li;  Nanbu, Shinkoh;  Balint-Kurti, Gabriel G.;  Zhang, Hong 收藏  |  浏览/下载：14/0  |  提交时间：2015/11/12 Quantum reactive scattering  real wavepacket approach  OHCl  Boltzmann average  isotopic effects   Nonadiabatic effects in the H+H2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level 期刊论文 journal of chemical physics, 2009, 卷号: 130, 页码: 44301-1-44301-9 楚天舒; 韩克利; Marlies Hankel; Gabriel G. Balint-Kurti; Aron Kuppermann; Ravinder Abrol 收藏  |  浏览/下载：19/0  |  提交时间：2010/11/30 Quantum mechanical calculation of energy dependence of OCl/OH product branching ratio and product quantum state distributions for the O(D-1) plus HCl reaction on all three contributing electronic state potential energy surfaces 期刊论文 journal of physical chemistry a, 2008, 卷号: 112, 期号: 34, 页码: 7947-7960 作者:  Yang, Huan;  Han, Ke-Li;  Nanbu, Shinkoh;  Nakamura, Hiroki;  Balint-Kurti, Gabriel G. 收藏  |  浏览/下载：17/0  |  提交时间：2015/11/12 Quantum dynamical study of the O((1)D) plus HCl reaction employing three electronic state potential energy surfaces 期刊论文 journal of chemical physics, 2008, 卷号: 128, 期号: 1 作者:  Yang, Huan;  Han, Ke-Li;  Nanbu, Shinkoh;  Nakamura, Hiroki;  Balint-Kurti, Gabriel G. 收藏  |  浏览/下载：32/0  |  提交时间：2015/11/11 Quantum dynamical study of the O（1D）+HCl reaction employing three electronic state potential energy surfaces 期刊论文 Journal of Chemical Physics, 2008, 卷号: 128, 期号: 1, 页码: 014308-1-014308-5 杨欢; 韩克利; Shinkoh Nanbu; Hiroki Nakamura; Gabriel G. Balint-Kurti; 张宏; Sean C. Smith; Marlies Hankel 收藏  |  浏览/下载：9/0  |  提交时间：2010/11/30 Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product BranchingRatio and Product Quantum State Distributions for the O(1D) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces 期刊论文 journal of physical chemistry a, 2008, 卷号: 112, 期号: 34, 页码: 7947-7960 杨欢; 韩克利; Shinkoh Nanbu; Hiroki Nakamura; Gabriel G. Balint-Kurti; 张宏; Sean C; Smith; and Marlies Hankel 收藏  |  浏览/下载：7/0  |  提交时间：2010/11/30 Coriolis coupling effects in the calculation of state-to-state integral and differential cross sections for the H+D-2 reaction 期刊论文 journal of chemical physics, 2007, 卷号: 126, 期号: 21 作者:  Chu, Tian-Shu;  Han, Ke-Li;  Hankel, Marlies;  Balint-Kurti, Gabriel G. 收藏  |  浏览/下载：14/0  |  提交时间：2015/11/11