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Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 23
Authors:  Wu, Tao;  Sun, Lei;  Shi, Qi;  Deng, Kaiming;  Deng, Weiqiao;  Lu, Ruifeng
Favorite  |  View/Download:32/0  |  Submit date:2017/10/29
A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 18
Authors:  Zhao, Bin;  Sun, Zhigang;  Guo, Hua
Favorite  |  View/Download:22/0  |  Submit date:2017/10/29
A reactant-coordinate-based wave packet method for full-dimensional state-to-state quantum dynamics of tetra-atomic reactions: Application to both the abstraction and exchange channels in the H + H2O reaction 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 6
Authors:  Zhao, Bin;  Sun, Zhigang;  Guo, Hua
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
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
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Discrete Variable Representation  Hermiticity  Time-dependent Wavepacket Method  Absorption Spectra  
Structural and Infrared Spectroscopic Study on Solvation of Acetylene by Protonated Water Molecules 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 1, 页码: 31-37
Authors:  Kong, Xiang-tao;  Lei, Xin;  Yuan, Qin-qin;  Zhang, Bing-bing;  Zhao, Zhi;  Yang, Dong;  Jiang, Shu-kang;  Dai, Dong-xu;  Jiang, Ling
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Acetylene  Water  Solvation  Infrared Photodissociation Spectroscopy  Quantum Chemical Calculation