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Dynamical importance of van der Waals saddle and excited potential surface in C(D-1) + D-2 complex-forming reaction 期刊论文
NATURE COMMUNICATIONS, 2017, 卷号: 8
Authors:  Shen, Zhitao;  Ma, Haitao;  Zhang, Chunfang;  Fu, Mingkai;  Wu, Yanan;  Bian, Wensheng;  Cao, Jianwei
Favorite  |  View/Download:42/0  |  Submit date:2017/10/29
Quantum reaction dynamics of the C(D-1) + H-2(D-2) -> CH(D) plus H(D) on a new potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2013, 卷号: 139, 期号: 1
Authors:  Sun, Zhaopeng;  Zhang, Chunfang;  Lin, Shiying;  Zheng, Yujun;  Meng, Qingtian;  Bian, Wensheng
Favorite  |  View/Download:26/0  |  Submit date:2015/11/09
Electronically excited-state properties and predissociation mechanisms of phosphorus monofluoride: A theoretical study including spin-orbit coupling 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137, 期号: 1
Authors:  Yu, Le;  Bian, Wensheng
Favorite  |  View/Download:14/0  |  Submit date:2015/11/09
Efficient quantum calculation of the vibrational states of acetylene 期刊论文
CHEMICAL PHYSICS, 2012, 卷号: 400, 页码: 1-7
Authors:  Zhang, Zhijun;  Li, Bin;  Shen, Zhitao;  Ren, Yinghui;  Bian, Wensheng
Favorite  |  View/Download:19/0  |  Submit date:2015/11/13
Quantum Dynamics  Acetylene Vibrational State  Normal-to-local Mode Transition  Ideal Scaling  
A theoretical study on the reaction mechanisms of O(3P)+1-butene 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2012, 卷号: 112, 期号: 3, 页码: 858-872
Authors:  Zhao, Hongmei;  Pan, Lu;  Bian, Wensheng
Favorite  |  View/Download:14/0  |  Submit date:2015/11/13
Hydrocarbon Combustion  Site Selectivity  Minimum Energy Crossing Point  Butenol  
Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 135, 期号: 15
Authors:  Zhang, Zhijun;  Ma, Haitao;  Bian, Wensheng
Favorite  |  View/Download:15/0  |  Submit date:2015/11/12
Ab Initio Calculations  Angular Momentum  Molecular Electronic States  Organic Compounds  Rotational-vibrational States  Scf Calculations  Vibronic States  
Extensive Theoretical Study on Electronically Excited States and Predissociation Mechanisms of Sulfur Monoxide Including Spin-Orbit Coupling 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 卷号: 32, 期号: 8, 页码: 1577-1588
Authors:  Yu, Le;  Bian, Wensheng
Favorite  |  View/Download:12/0  |  Submit date:2015/11/12
Electronically Excited States  Spin-orbit Coupling  Predissociation  Curve Crossings  Spectroscopic Constants  
Kinetic study on the H+SiH4 abstraction reaction using an ab initio potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 134, 期号: 2
Authors:  Cao, Jianwei;  Zhang, Zhijun;  Zhang, Chunfang;  Bian, Wensheng;  Guo, Yin
Favorite  |  View/Download:33/0  |  Submit date:2015/11/12
Full-dimensional quantum dynamics study of vinylidene-acetylene isomerization: a scheme using the normal mode Hamiltonian 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 6, 页码: 2052-2061
Authors:  Ren, Yinghui;  Li, Bin;  Bian, Wensheng
Favorite  |  View/Download:11/0  |  Submit date:2015/11/12
Quasiclassical trajectory study of H+SiH4 reactions in full-dimensionality reveals atomic-level mechanisms 期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2009, 卷号: 106, 期号: 32, 页码: 13180-13185
Authors:  Cao, Jianwei;  Zhang, Zhijun;  Zhang, Chunfang;  Liu, Kun;  Wang, Manhui;  Bian, Wensheng
Favorite  |  View/Download:18/0  |  Submit date:2015/11/12
Potential Energy Surface  Reaction Dynamics