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Exact and truncated Coriolis coupling calculations for the S(D-1) plus HD reaction employing the ground adiabatic electronic state 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2010, 卷号: 12, 期号: 39, 页码: 12711-12718
Authors:  Yang, Huan;  Han, Keli;  Schatz, George C.;  Smith, Sean C.;  Hankel, Marlies
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Exact and truncated Coriolis coupling calculations for the S(D-1) plus HD reaction employing the ground adiabatic electronic state 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2010, 卷号: 12, 期号: 39, 页码: 12711-12718
Authors:  Yang, Huan;  Han, Keli;  Schatz, George C.;  Smith, Sean C.;  Hankel, Marlies
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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
Authors:  Chu, Tian-Shu;  Han, Ke-Li;  Hankel, Marlies;  Balint-Kurti, Gabriel G.;  Kuppermann, Aron;  Abrol, Ravinder
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Atom-molecule Reactions  Chemical Exchanges  Ground States  Hydrogen Neutral Atoms  Hydrogen Neutral Molecules  Potential Energy Surfaces  Reaction Kinetics Theory  Vibrational Modes  
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
Authors:  Chu TS(楚天舒);  Han KL(韩克利);  Marlies Hankel;  Gabriel G. Balint-Kurti;  Aron Kuppermann;  Ravinder Abrol
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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
Authors:  Yang, Huan;  Han, Ke-Li;  Nanbu, Shinkoh;  Balint-Kurti, Gabriel G.;  Zhang, Hong;  Smith, Sean C.;  Hankel, Marlies
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Quantum Reactive Scattering  Real Wavepacket Approach  Ohcl  Boltzmann Average  Isotopic Effects  
INITIAL ROTATIONAL QUANTUM STATE EXCITATION AND ISOTOPIC EFFECTS FORTHE O(1D)+HCl → OH+Cl (OCl+H) REACTION 期刊论文
Journal of Theoretical and Computational Chemistry, 2009, 卷号: 8, 期号: 增刊1, 页码: 1003-1024
Authors:  Yang H(杨欢);  Han KL(韩克利);  SHINKOH NANBU;  GABRIEL G.BALINT-KURTI;  Zhang H(张宏);  SEAN C.SMITH;  MARLIES HANKEL
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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
Authors:  Yang, Huan;  Han, Ke-Li;  Nanbu, Shinkoh;  Nakamura, Hiroki;  Balint-Kurti, Gabriel G.;  Zhang, Hong;  Smith, Sean C.;  Hankel, Marlies
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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
Authors:  Yang, Huan;  Han, Ke-Li;  Nanbu, Shinkoh;  Nakamura, Hiroki;  Balint-Kurti, Gabriel G.;  Zhang, Hong;  Smith, Sean C.;  Hankel, Marlies
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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
Authors:  杨欢;  韩克利;  Shinkoh Nanbu;  Hiroki Nakamura;  Gabriel G. Balint-Kurti;  张宏;  Sean C. Smith;  Marlies Hankel
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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
Authors:  Yang H(杨欢);  Han KL(韩克利);  Shinkoh Nanbu;  Hiroki Nakamura;  Gabriel G. Balint-Kurti;  Zhang H(张宏);  Sean C;  Smith;  and Marlies Hankel;  Marlies Hankel
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