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Diabatic potential energy surfaces of MgH2+ and dynamic studies for the Mg+(3p) + H-2 -> MgH+ + H reaction 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 9, 页码: 6638-6647
Authors:  Yuan, Jiuchuang;  He, Di;  Wang, Shufen;  Chen, Maodu;  Han, Keli
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An Exact Propagator for Solving the Triatomic Reactive Schrodinger Equation 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 761-770
Authors:  Li, Xue-ming;  Sun, Zhi-gang
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Time-dependent Wavepacket Method  Spectral Difference  Spectrally Transformed Hamiltonian  Exact Short Time Propagator  Reactive Scattering  
Full-dimensional quantum dynamics study of the H-2 + C2H -> H + C2H2 reaction on an ab initio potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 19
Authors:  Chen, Liuyang;  Shao, Kejie;  Chen, Jun;  Yang, Minghui;  Zhang, Dong H.
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Hermiticity of Hamiltonian Matrix using the Fourier Basis Sets in Bond-Bond-Angle and Radau Coordinates 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 1, 页码: 112-122
Authors:  Yu, De-quan;  Huang, He;  Nyman, Gunnar;  Sun, Zhi-gang
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Discrete Variable Representation  Hermiticity  Time-dependent Wavepacket Method  Absorption Spectra  
Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 1
Authors:  Wu, Guorong;  Neville, Simon P.;  Schalk, Oliver;  Sekikawa, Taro;  Ashfold, Michael N. R.;  Worth, Graham A.;  Stolow, Albert
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State-to-state reaction dynamics of 18O+32O2 studied by a time-dependent quantum wavepacket method 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 6, 页码: 0643081
Authors:  Xie WB(谢闻博);  Liu L(刘兰);  Sun ZG(孙志刚);  Guo H(郭华);  Richard Dawes
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H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 8, 页码: 084107
Authors:  Su NQ(苏乃强);  Chen J(陈俊);  Sun ZG(孙志刚);  Zhang DH(张东辉);  Xu X(徐昕)
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Quantum Dynamics of Li plus HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 28, 期号: 4, 页码: 415-425
Authors:  Li, Wen-tao;  Chen, Mao-du;  Sun, Zhi-gang
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Quantum Wavepacket  Integral And Differential Cross Section  Reaction Rate Constant  Li Plus Hf/df  Isotope Effect  
GQSD: The Program for the Graphic Processing Units Accelerated Quantum Scattering Dynamics 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2015, 卷号: 115, 期号: 11, 页码: 738-743
Authors:  Zhang, Pei-Yu;  Han, Ke-Li
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Gpu  Differential Cross Sections  Collision Dynamics  Reaction Probabilities  Time-dependent Wavepacket  
Accurate high level ab initio-based global potential energy surface and dynamics calculations for ground state of CH2+ 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 12
Authors:  Li, Y. Q.;  Zhang, P. Y.;  Han, K. L.
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