中科院考研推荐链接:
边文生 男 博导 中国科学院化学研究所
电子邮件: bian@iccas.ac.cn
通信地址: 北京海淀区中关村北一街2号
邮政编码: 100190
1. Yinghui Ren, Wensheng Bian*, Mode-specific tunneling splittings for a sequential double-hydrogen transfer case: An accurate quantum mechanical scheme. J. Phys. Chem. Lett. 6, 1824-1829, 2015.
2. Zhitao Shen, Jianwei Cao, Wensheng Bian*, Quantum mechanical differential and integral cross sections for the C(1D)+H2 (v=0, j=0) → CH(v', j') + H reaction. J. Chem. Phys. 142, 164309, 2015.
3. Chunfang Zhang, Mingkai Fu, Zhitao Shen, Haitao Ma*, Wensheng Bian*, Global analytical ab initio ground-state potential energy surface for the C(1D)+H2 reactive system. J. Chem. Phys. 140, 234301, 2014.
4. Ying Wu, Chunfang Zhang, Jianwei Cao*, Wensheng Bian*, Quasiclassical trajectory study of the C(1D)+H2→CH+H reaction on a new global ab initio potential energy surface. J. Phys. Chem. A 118, 4235, 2014.
5. Zhaopeng Sun, Chunfang Zhang, Shiying Lin, Yujun Zheng*, Qingtian Meng, Wensheng Bian*, Quantum reaction dynamics of the C(1D) + H2(D2) → CH(D) + H(D) on a new potential energy surface. J. Chem. Phys., 139, 014306, 2013.
6. Lu Pan, Wensheng Bian*, Jiaxu Zhang*, The effect of explicit solvent on photodegradation of decabromodiphenyl ether in toluene: Insights from theoretical study. J. Phys. Chem. A, 117, 5291, 2013.
7. Lu Pan, Wensheng Bian*, Theoretical study on the photodegradation mechanism of nona-BDEs in methanol. ChemPhysChem, 14, 1264, 2013.
8. Haitao Ma, Chunfang Zhang, Zhijun Zhang, Xiaojun Liu, Wensheng Bian*; New ab initio potential energy surfaces for the Renner-Teller coupled 11A' and 11A" states of CH2. Adv. Phys. Chem., 2012, 236750, 2012.
9. Le. Yu, Wensheng Bian*; Electronically excited-state properties and predissociation mechanisms of phosphorus monofluoride: A theoretical study including spin–orbit coupling. J. Chem. Phys., 137, 014313, 2012.
10. Zhijun Zhang, Bin Li, Zhitao Shen, Yinghui Ren, Wensheng Bian*; Efficient quantum calculation of the vibrational states of acetylene. Chem. Phys., 400, 1, 2012.
11. Hongmei Zhao, Lu Pan, Wensheng Bian*; A theoretical study on the reaction mechanisms of O(3P)+1-butene. Int. J. Quantum Chem., 112, 858, 2012.
12. Zhijun Zhang, Haitao Ma, Wensheng Bian*; Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2. J. Chem. Phys., 135, 154303, 2011.
13. Le Yu, Wensheng Bian*; Extensive theoretical study on electronically excited states and predissociation mechanisms of sulfur monoxide including spin-orbit coupling; J. Comput. Chem., 32, 1577, 2011.
14. Bin Li, Yinghui Ren, Wensheng Bian*; Accurate quantum dynamics study on the resonance decay of vinylidene. ChemPhysChem, 12, 2419(Communication), 2011.
15. Yinghui Ren, Bin Li, Wensheng Bian*; Full-dimensional quantum dynamics study of vinylidene-acetylene isomerization: A scheme using normal mode Hamiltonian; Phys. Chem. Chem. Phys.,13, 2052, 2011.
16. Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Wensheng Bian*, Yin Guo*; Kinetic study on the H+SiH4 abstraction reaction using an ab initio potential energy surface; J. Chem. Phys.,134, 024315, 2011.
17. Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Kun Liu, Manhui Wang, Wensheng Bian*; Quasiclassical Trajectory Study of H+SiH4 Reactions in Full-Dimensionality Reveals Atomic-Level Mechanisms; Proc. Natl. Acad. Sci. U.S.A., 106, 13180-13185, 2009.
18. Kun Liu, Le Yu, Wensheng Bian*; Extensive Theoretical Study on the Low-Lying Electronic States of Silicon Monochloride Cation including Spin-Orbit Coupling; J. Phys. Chem. A, 113, 1678-1685, 2009.
19. Bin Li, Wensheng Bian*; Efficient quantum calculations of vibrational states of vinylidene in full-dimensionality: A scheme with combination of methods; J. Chem. Phys., 129, 024111/1 -024111/12, 2008.
20. Manhui Wang, Xiaomin Sun, Wensheng Bian*; Quasiclassical trajectory study of the SiH4 + H → SiH3 +H2 reaction on a global 12-dimensional ab initio potential energy surface; J. Chem. Phys., 129, 084309/1-084309/8, 2008.
21. Kun Liu, Wensheng Bian*; Extensive Theoretical Study on the Low-Lying Electronic States of Silicon Monofluoride Cation including Spin-Orbit Coupling; J. Comput. Chem., 29, 256-265, 2008.
22. Wenwei Zhao, Lu Pan, Wensheng Bian*, Jianping Wang*; Influence of solvent polarity and hydrogen bonding on the electronic transition of Coumarin 120: a TD-DFT study; ChemPhysChem, 9, 1593-1602, 2008.
23. Wenwei Zhao, Wensheng Bian*; Investigation of the structures and electronic spectra of two coumarins with heterocyclic substituents through TD-DFT calculations; J. Mol. Struct.-Theochem, 859, 73-78, 2008.
24. Wenwei Zhao, Wensheng Bian*; Investigation of the structures and electronic spectra for Coumarin 6 through TD-DFT calculations including PCM salvation; J. Mol. Struct.-Theochem, 818, 43-49, 2007.
25. Manhui Wang, Xiaomin Sun, Wensheng Bian*, Zhengting Cai; A global 12-dimensional ab initio potential energy surface and dynamical studies for the SiH4+H→SiH3 +H2 Reaction; J. Chem. Phys., 124, 234311/1-234311/9, 2006.
26. Xiaojun Liu, Wensheng Bian*, Xian Zhao, Xutang Tao; Potential Energy Surface Intersections in the C(1D)H2 Reactive System; J. Chem. Phys., 125, 074306/1-074306/7, 2006.
27. Haitao Ma, Xiaojun Liu, Wensheng Bian*, Lingpeng Meng, Shijun Zheng; A Theoretical Study of Mechanisms and Kinetics of F + N3 Reactions; ChemPhysChem, 7, 1786-1794, 2006.
28. Hongmei Zhao, Wensheng Bian*, Kun Liu; A Theoretical Study of the Reaction of O(3P) with Isobutene; J. Phys. Chem. A, 110, 7858-7866, 2006.
29. Xiaojun Liu, Haidong Ju, Xian Zhao, Xutang Tao*, Wensheng Bian*, Minhua Jiang; Study of electronic and spectroscopic properties on a newly synthesized red fluorescent material; J. Chem. Phys., 124, 174711/1-174711/5, 2006.
30. Wensheng Bian, B. Poirier; Accurate and highly efficient calculation of the highly excited pure OH stretching resonances of O(1D)HCl, using a combination of methods; J. Chem. Phys., 121, 4467-4478, 2004.
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