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Isotopic effect on the dynamics of the H/D plus LiH/LiD reactions Isotopic effect in the H plus LiH system 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1084, 页码: 188-195
Authors:  He, Xiaohu;  Zhang, Peiyu;  Duan, Zhi-Xin
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
h Plus Lih Reaction  Integral Cross Section  Rate Constants  Isotopic Effect  
Photoisomerization mechanism of 1,10-dimethyl-2,20-pyridocyanine in the gas phase and in solution 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 136, 期号: 0, 页码: 1157
Authors:  Gao AH(高爱华);  Zhang PY(张佩宇);  meiyu zhao;  Liu JY(刘建勇)
Favorite  |  View/Download:25/0  |  Submit date:2016/11/24
Time-dependent wave packet state-to-state quantum dynamics study of the abstraction reaction S(3P) + H2(v = 0, j = 0) on 13A″ electronic state 期刊论文
CHEMICAL PHYSICS, 2015, 卷号: 453, 期号: 0, 页码: 47
Authors:  吴慧;  Dongyue Liang;  张佩宇
Favorite  |  View/Download:11/0  |  Submit date:2016/11/24
Quantum State-to-State Dynamics of the H + LiH → H2 + Li Reaction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 0, 页码: 8912
Authors:  He XH(和小虎);  Wu H(吴慧);  Zhang PY(张佩宇);  Zhang Y(张岩)
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Quantum State-to-State Dynamics of the H plus LiH -> H-2 + Li Reaction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 33, 页码: 8912-8921
Authors:  He, Xiaohu;  Wu, Hui;  Zhang, Peiyu;  Zhang, Yan
Favorite  |  View/Download:45/0  |  Submit date:2015/11/17
Reactant Coordinate Based State-to-State Reactive Scattering Dynamics Implemented on Graphical Processing Units 期刊论文
Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 39, 页码: 8929
Authors:  Zhang PY(张佩宇);  Han KL(韩克利)
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Time-Dependent Wave-Packet Quantum Dynamics Study of the Ne + D-2(+) (v(0)=0-2; j(0)=0) -> NeD+ + D Reaction: Including the Coriolis Coupling 期刊论文
Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 27, 页码: 5076
Authors:  Yao CX(姚翠霞);  Zhang PY(张佩宇)
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Photochemical dynamics simulations for trans-cis photoisomerizations of azobenzene and bridged azobenzene 期刊论文
Computational and Theoretical Chemistry, 2014, 卷号: 1031, 期号: 1, 页码: 13
Authors:  Gao AH(高爱华);  Li B(黎斌);  Zhang PY(张佩宇);  Liu JY(刘建勇)
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Influence of collision energy on the dynamics of the reaction H (S-2) + NH (X-3 Sigma(-)) -> N (S-4) +H-2 (X-1 Sigma(+)(g)) by the state-to-state quantum mechanical study 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2014, 卷号: 133, 期号: 6, 页码: 1489
Authors:  Yao CX(姚翠霞);  Zhang PY(张佩宇);  Duan ZX(段志欣);  Zhao GJ(赵广久)
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Quantum dynamics study on the exchange H + OH+ reaction 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1012, 页码: 1-7
Authors:  Xu, Wenwu;  Li, Wenliang;  Zhang, Peiyu;  Zhang PY(张佩宇)
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Quantum  Dynamics  Wavepacket  Potential  Surface  Cs