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Time-Dependent Wave Packet Quantum and Quasi-Classical Trajectory Study of He + H2 +, D2+ → HeH+ + H, HeD+ + D Reaction on an Accurate FCI Potential Energy Surface

机译：Time-Dependent Wave packet Quantum and Quasi-Classical Trajectory study of He + H2 +, D2+ → HeH+ + H, HeD+ + D Reaction on an accurate FCI potential Energy surface

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赵娟; YiLuo;
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年度 2012
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1. Time-dependent wave packet quantum and quasi-classical trajectory study of He + H _2 ~+, D _2 + → HeH ~+ + H, HeD ~+ + D reaction on an accurate FCI potential energy surface [J] . Zhao J., Luo Y. The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2012,第10期

机译：精确FCI势能面上He + H _2〜+，D _2 +→HeH〜+ + H，HeD〜+ + D反应的时变波包量子和准经典轨迹研究
2. Vector correlation in the He + H-2(+) -> HeH+ + H reaction: A quasi-classical trajectory study on two potential energy surfaces [J] . Liu XG, Kong H, Xu WW, Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2009,第1a3期

机译：He + H-2（+）-> HeH + + H反应中的矢量相关性：两个势能面的准经典轨迹研究
3. Quasi-classical trajectory study of the reaction H' + HS on a new ab initio potential energy surface H2S (3A") [J] . Dan Wu, Hong Gao, Jinghan Zou, Journal of Chemical Sciences . 2013,第5期

机译：新的从头算起的势能面H2S（3A“）上反应H'+ HS的准经典轨迹研究
4. Potential Energy Surfaces for Reaction Catalyzed by Metalloenzymes from Quantum Chemical Computations [C] . Monica Leopoldini, Tiziana Marino, Nino Russo, NATO Advanced Research Workshop on Molecular Self-Organization . 2009

机译：来自量子化学计算的金属酶催化的潜在能量表面
5. Quantum dynamics studies of gas-surface reactions and use of complex absorbing potentials in wave-packet calculations. [D] . Ge, Jiuyuan. 1999

机译：气体表面反应的量子动力学研究以及波包计算中复杂吸收势的使用。
6. Accurate quantum wave packet calculations for the F + HCl → Cl + HF reaction on the ground 12A′ potential energy surface [O] . Niyazi Bulut, Jacek Kłos, Millard H. Alexander -1

机译：地面12A势能面上F + HCl→Cl + HF反应的精确量子波包计算
7. Quasi-classical trajectory study of the reaction H′ + HS on a new ab initio potential energy surface H2S (3A″) [O] . JINGHAN ZOU, SHUHUI YIN, DAN WU, 2013

机译：对反应H'+ HS对新AB Initio潜在能量表面H2S（3A“）的准古典轨迹研究
8. Time-Dependent Wave Packet Quantum Scattering Study of the Reaction HD+(v=0-3;jo=1) + He --> HeH+(HeD+) + D(H) [R] . Tang, X., Houchins, C., Lau, K., 2007

机译：时间依赖波包量子散射研究反应HD +（v = 0-3; jo = 1）+ He-> HeH +（He D +）+ D（H）

Time-Dependent Wave Packet Quantum and Quasi-Classical Trajectory Study of He + H2 +, D2+ → HeH+ + H, HeD+ + D Reaction on an Accurate FCI Potential Energy Surface

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