基本信息

边文生  男  博导  二级研究员  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

研究领域

大气、燃烧和激光化学

PBFC量子动力学方法和程序发展

超冷分子体系的制备和机制

量子化学和分子反应动力学理论计算

非共价相互作用和催化反应的调控

教育背景

   
学位

1988  山东大学理学学士

1994  山东大学理学博士

工作经历

   
工作简历
2003-03~现在, 中国科学院化学研究所, 研究员（博士生导师）
2000-03~2002-02,日本分子科学研究所, 学振特别研究员
1999-09~2000-03,山东大学, 教授
1998-06~1999-09,山东大学, 副教授
1996-10~1998-05,德国斯图加特大学, 洪堡学者
1995-08~1995-11,哥本哈根大学, 访问学者
1994-07~1996-09,山东大学, 讲师

教授课程

化学热力学
物理化学I

专利与奖励

曾获国家自然科学奖三等奖、国家教委科技进步奖一等奖, 北京市科学技术奖三等奖。

出版信息


  • Yanan Wu#; Jianwei Cao#; Haitao Ma; Chunfang Zhang; Wensheng Bian*; Dianailys Nunez-Reyes; Kevin M. Hickson*, Conical intersection-regulated intermediates in bimolecular reactions: Insights from C(1D)+HD dynamics, Sci. Adv., 2019, 5:eaaw0446.

  •  Zhitao Shen#; Haitao Ma#; Chunfang Zhang#; Mingkai Fu; Yanan Wu; Wensheng Bian*; Jianwei Cao*, Dynamical importance of van der Waals saddle and excited potential surface in C(1D) + D2 complex-forming reaction, Nat. Commun., 2017, 8: 14094.

  • Yinghui Ren; Wensheng Bian*, Mode-specific tunneling splittings for a sequential double-hydrogen transfer case: An accurate quantum mechanical scheme.,         J. Phys. Chem. Lett., 2015, 6(10): 1824~1829.

  • Mingkai Fu; Haitao Ma; Jianwei Cao*; Wensheng Bian*, Laser cooling of CaBr molecules and production of ultracold Br atoms: A theoretical study including spin-orbit coupling,  J. Chem. Phys., 2017, 146(13): 134309.

  • Chunfang Zhang; Yujun Zheng; Jianwei Cao*; Wensheng Bian*, Quasiclassical trajectory study of the C(1D) + HD reaction, RSC Adv., 2017, 7(55): 34348~34355.

  • Mingkai Fu; Haitao Ma; Jianwei Cao; Wensheng Bian*, Extensive theoretical study on electronically excited states of calcium monochloride: Molecular laser cooling and production of ultracold chlorine atoms, J. Chem. Phys., 2016, 144(18): 184302.

  • Feng Wu; Yinghui Ren; Wensheng Bian*, The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method, J. Chem. Phys., 2016, 145(7): 074309.

  • Mingkai Fu; Jianwei Cao; Haitao Ma; Wensheng Bian*, Laser cooling of copper monofluoride: a theoretical study including spin-orbit coupling, RSC Adv., 2016, 6(102): 100568~100576.

  • 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., 2015, 142(16): 164309.

  • 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., 2014, 140 (23): 234301.

  • Yin 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, 2014, 118 (24): 4235.

  • 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., 2013,139: 014306.

  • 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, 2013, 117: 5291.

  • Lu Pan; Wensheng Bian*, Theoretical study on the photodegradation mechanism of nona-BDEs in methanol. ChemPhysChem, 2013, 14: 1264.

  • Le. Yu; Wensheng Bian*, Electronically excited-state properties and predissociation mechanisms of phosphorus monofluoride: A theoretical study including spin–orbit coupling. J. Chem. Phys., 2012,137: 014313.

  • Zhijun Zhang; Haitao Ma; Wensheng Bian*, Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2. J. Chem. Phys., 2011, 135: 154303.

  • Bin Li; Yinghui Ren; Wensheng Bian*, Accurate quantum dynamics study on the resonance decay of vinylidene. ChemPhysChem, 2011, 12: 2419 (Communication).

  • 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., 2011, 13: 2052.

  • 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., 2011, 134: 024315.

  • Le Yu; Wensheng Bian*, Extensive theoretical study on electronically excited states and predissociation mechanisms of sulfur monoxide including spin-orbit coupling.J. Comput. Chem., 2011, 32: 1577.

  • 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., 2009, 106: 13180~13185.

发表论文
[1] Li Fengyi, Liu, Xiaoxi, Ma Haitao, 边文生. A diabatization method based upon integrating the diabatic potential gradient difference. Phys. Chem. Chem. Phys[J]. 2024, 第 4 作者  通讯作者  null(null): 
[2] Yang Xingyu, Ma Haitao, Lu Qing, 边文生. Efficient Method for Numerical Calculations of Molecular Vibrational Frequencies by Exploiting Sparseness of Hessian Matrix. J. Phys. Chem. A[J]. 2024, 第 4 作者  通讯作者  128(null): 3024-3032, 
[3] Li, Fengyi, Yang, Xingyu, Liu, Xiaoxi, Cao, Jianwei, Bian, Wensheng. An Ab Initio Neural Network Potential Energy Surface for the Dimer of Formic Acid and Further Quantum Tunneling Dynamics. ACS OMEGA, 8, 17296[J]. 2023, 第 5 作者  通讯作者  8(19): 17296-17303, http://dx.doi.org/10.1021/acsomega.3c02169.
[4] Qing Lu, Wensheng Bian. The Decay of Dispersion Interaction and Its Remarkable Effects on the Kinetics of Activation Reactions Involving Alkyl Chains. Journal of Physical Chemistry Letters[J]. 2023, 第 2 作者  通讯作者  
[5] Fengyi Li, Xiaoxi Liu, Xingyu Yang, Jianwei Cao, Wensheng Bian. Quantum Dynamics Calculations on Isotope Effects of Hydrogen Transfer Isomerization in Formic Acid Dimer. Chinese Journal of Chemical Physics, 36, 545[J]. 2023, 第 5 作者  通讯作者  36(5): 545-552, 
[6] Wensha Xia, Jianwei Cao, Qing Lu, Wensheng Bian. Production of ultracold polyatomic molecules with strong polarity by laser cooling: A detailed theoretical study on CaNC and SrNC. FRONTIERS IN CHEMISTRY, 10, 1009986[J]. 2022, 第 4 作者  通讯作者  10: 1009986, https://doaj.org/article/a78d14cfb1324eb285d9454acf96b274.
[7] Donghui Li, Jianwei Cao, Haitao Ma, Wensheng Bian. A theoretical study on laser cooling feasibility of XH (X = As, Sb and Bi): effects of intersystem crossings and spin-orbit couplings.. Phys. Chem. Chem. Phys. 24, 10114[J]. 2022, 第 4 作者  通讯作者  24(17): 10114-10123, 
[8] Luo, Jia, Cao, Jianwei, Liu, Hao, Bian, Wensheng. Accurate Quantum Dynamics of the Simplest Isomerization System Involving Double-H Transfer. CHIN. J. CHEM. PHYS. 35, 185[J]. 2022, 第 4 作者  通讯作者  35(1): 185-192, 
[9] Li, Donghui, Bian, Wensheng. Excellent Ultracold Molecular Candidates From Group VA Hydrides: Whether Do Nearby Electronic States Interfere?. FRONTIERS IN CHEMISTRY[J]. 2021, 第 2 作者  通讯作者  9: http://dx.doi.org/10.3389/fchem.2021.778292.
[10] Xia, Wensha, Ma, Haitao, Bian, Wensheng. Production of ultracold CaCCH and SrCCH molecules by direct laser cooling: A theoretical study based on accurate ab initio calculations. JOURNAL OF CHEMICAL PHYSICS[J]. 2021, 第 3 作者  通讯作者  155(20): http://dx.doi.org/10.1063/5.0072013.
[11] Cao, Jianwei, Wu, Yanan, Bian, Wensheng. Ring polymer molecular dynamics of the C(D-1)+H-2 reaction on the most recent potential energy surfaces. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2021, 第 3 作者  通讯作者  34(6): 833-842, http://dx.doi.org/10.1063/1674-0068/cjcp2110197.
[12] Cao, Jianwei, Wu, Yanan, Ma, Haitao, Shen, Zhitao, Bian, Wensheng. Dynamics and kinetics of the Si(D-1) + H-2/D-2 reactions on a new global ab initio potential energy surface. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2021, 第 5 作者  通讯作者  23(10): 6141-6153, http://dx.doi.org/10.1039/d0cp05540a.
[13] Bian Wensheng, Cao Jianwei. The PBFC-PI Quantum Dynamical Method and Its Applications. CHEMICALJOURNALOFCHINESEUNIVERSITIESCHINESE. 2021, 第 1 作者  通讯作者  42(7): 2123-2135, http://dx.doi.org/10.7503/cjcu20210129.
[14] Li, Donghui, Fu, Mingkai, Ma, Haitao, Bian, Wensheng, Du, Zheng, Chen, Congmei. A Theoretical Study on Laser Cooling Feasibility of Group IVA Hydrides XH (X = Si, Ge, Sn, and Pb): The Role of Electronic State Crossing. FRONTIERS IN CHEMISTRY[J]. 2020, 第 4 作者  通讯作者  8: https://doaj.org/article/89ea9fff16fc4187a8eec5bdfb65cc33.
[15] Liu, Hao, Cao, Jianwei, Bian, Wensheng. Efficient Quantum Mechanical Calculations of Mode-Specific Tunneling Splittings upon Fundamental Excitation in the Dimer of Formic Acid. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2020, 第 3 作者  通讯作者  124(32): 6536-6543, https://www.webofscience.com/wos/woscc/full-record/WOS:000562942600016.
[16] Wu, Yanan, Cao, Jianwei, Bian, Wensheng. Quantum Dynamics Study of the C(D-1) + HD Reaction on the (a)over-tilde(1)A ' and (b)over-tildeA '' Potential Energy Surfaces. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2020, 第 3 作者  通讯作者  124(5): 801-809, http://dx.doi.org/10.1021/acs.jpca.9b09822.
[17] Luo, Jia, Cao, Jianwei, Liu, Hao, Bian, Wensheng. Accurate quantum mechanical calculations on deuterated vinylidene isomerization. JOURNAL OF CHEMICAL PHYSICS[J]. 2020, 第 4 作者  通讯作者  153(5): https://www.webofscience.com/wos/woscc/full-record/WOS:000560799400003.
[18] Lou, Pingping, Zhang, Xuezhong, Tan, Yongxia, Zhang, Zhijie, Bian, Wensheng, Ma, Haitao, Xie, Zemin. H-1 NMR relaxation and theoretical calculation study on Tris (pentafluorophenyl)borane as a catalyst in preparation of Poly(carborane-siloxane) polymers. POLYMER TESTING[J]. 2019, 第 5 作者73: 412-417, https://www.webofscience.com/wos/woscc/full-record/WOS:000470937900049.
[19] Yanan Wu, Jianwei Cao, Haitao Ma, Chunfang Zhang, Wensheng Bian, Dianailys NunezReyes, Kevin M Hickson. Conical intersection–regulated intermediates in bimolecular reactions: Insights from C( 1 D) + HD dynamics. SCIENCE ADVANCES[J]. 2019, 第 5 作者  通讯作者  5(4): https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6486230/.
[20] Liu, Hao, Cao, Jianwei, Bian, Wensheng. Double Proton Transfer in the Dimer of Formic Acid: An Efficient Quantum Mechanical Scheme. FRONTIERS IN CHEMISTRY[J]. 2019, 第 3 作者  通讯作者  7: 
[21] Cao, Jianwei, Li, Fengyi, Xia, Wensha, Bian, Wensheng. van der Waals Interactions in Bimolecular Reactions. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2019, 第 4 作者  通讯作者  32(2): 157-166, 
[22] GonzalezLezana, Tomas, Larregaray, Pascal, Bonnet, Laurent, Wu, Yanan, Bian, Wensheng. The dynamics of the C(D-1)+H-2/D-2/HD reactions at low temperature. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 5 作者148(23): http://dx.doi.org/10.1063/1.5026454.
[23] Wu, Haiming, Yuan, Chengqian, Zhang, Hanyu, Yang, Guanhua, Cui, Chaonan, Yang, Mengzhou, Bian, Wensheng, Fu, Hongbing, Luo, Zhixun, Yao, Jiannian. Ultrafast Deep-Ultraviolet Laser Ionization Mass Spectrometry Applicable To Identify Phenylenediamine Isomers. ANALYTICAL CHEMISTRY[J]. 2018, 第 7 作者90(17): 10635-10640, https://www.webofscience.com/wos/woscc/full-record/WOS:000444060600074.
[24] 边文生. The dynamics of the C(1D)+H2/D2/HD reactions at low temperature. The Journal of Chemical Physics. 2018, 第 1 作者
[25] Zhitao Shen, Haitao Ma, Chunfang Zhang, Mingkai Fu, Yanan Wu, Wensheng Bian, Jianwei Cao. Dynamical importance of van der Waals saddle and excited potential surface in C(1D)+D2 complex-forming reaction. NATURE COMMUNICATIONS[J]. 2017, 第 6 作者8(1): 1-7, https://doaj.org/article/7a1202024ec64cc7bab23b94f574eb8a.
[26] Zhang, Chunfang, Zheng, Yujun, Cao, Jianwei, Bian, Wensheng. Quasiclassical trajectory study of the C(D-1) + HD reaction. RSC ADVANCES[J]. 2017, 第 4 作者  通讯作者  7(55): 34348-34355, http://dx.doi.org/10.1039/c7ra03966b.
[27] Xia, Wensha, Fu, Mingkai, Ma, Haitao, Bian, Wensheng. A theoretical study on laser cooling of silicon monofluoride. CHEMICAL PHYSICS[J]. 2017, 第 4 作者  通讯作者  485: 29-34, http://dx.doi.org/10.1016/j.chemphys.2017.01.007.
[28] Fu, Mingkai, Ma, Haitao, Cao, Jianwei, Bian, Wensheng. Laser cooling of CaBr molecules and production of ultracold Br atoms: A theoretical study including spin-orbit coupling. JOURNAL OF CHEMICAL PHYSICS[J]. 2017, 第 4 作者  通讯作者  146(13): http://dx.doi.org/10.1063/1.4979566.
[29] Shen, Zhitao, Ma, Haitao, Zhang, Chunfang, Fu, Mingkai, Wu, Yanan, Bian, Wensheng, Cao, Jianwei. Dynamical importance of van der Waals saddle and excited potential surface in C(D-1) + D-2 complex-forming reaction. NATURE COMMUNICATIONS[J]. 2017, 第 6 作者  通讯作者  8: http://dx.doi.org/10.1038/ncomms14094.
[30] 边文生. Quasiclassical trajectory study of the C(1D)+HD reaction. RSC Adv.. 2017, 第 1 作者  通讯作者  
[31] 张东辉, 戴东旭, 谢代前, 边文生. 多原子体系的化学反应动力学研究. 科技创新导报[J]. 2016, 第 4 作者13(26): 183-183, http://lib.cqvip.com/Qikan/Article/Detail?id=7000073091.
[32] 边文生. Theoretical study on mechanism and kinetics of reaction of O(3P) with propane. Chin. J. Chem. Phys.. 2016, 第 1 作者  通讯作者  
[33] 荆富强, 曹剑炜, 刘小君, 胡煜峰, 马海涛, 边文生. 丙烷与O（^3P）反应机理和动力学的理论研究. 化学物理学报[J]. 2016, 第 6 作者430-436, http://lib.cqvip.com/Qikan/Article/Detail?id=669925288.
[34] Wu, Feng, Ren, Yinghui, Bian, Wensheng. The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 3 作者  通讯作者  145(7): http://dx.doi.org/10.1063/1.4960789.
[35] Fu, Mingkai, Cao, Jianwei, Ma, Haitao, Bian, Wensheng. Laser cooling of copper monofluoride: a theoretical study including spin-orbit coupling. RSC ADVANCES[J]. 2016, 第 4 作者  通讯作者  6(102): 100568-100576, http://dx.doi.org/10.1039/c6ra07835d.
[36] Fu, Mingkai, Ma, Haitao, Cao, Jianwei, Bian, Wensheng. Extensive theoretical study on electronically excited states of calcium monochloride: Molecular laser cooling and production of ultracold chlorine atoms. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 4 作者  通讯作者  144(18): http://dx.doi.org/10.1063/1.4948631.
[37] Jing Fuqiang, Cao Jianwei, Liu Xiaojun, Hu Yufeng, Ma Haitao, Bian Wensheng. 丙烷与O（^3P）反应机理和动力学的理论研究. 化学物理学报[J]. 2016, 第 6 作者430-436, http://lib.cqvip.com/Qikan/Article/Detail?id=669925288.
[38] Jing, Fuqiang, Cao, Jianwei, Liu, Xiaojun, Hu, Yufeng, Ma, Haitao, Bian, Wensheng. Theoretical Study on Mechanism and Kinetics of Reaction of O(P-3) with Propane. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 6 作者  通讯作者  29(4): 430-436, http://dx.doi.org/10.1063/1674-0068/29/cjcp1603042.
[39] Yinghui Ren. Mode-Specific Tunneling Splittings for a Sequential Double-Hydrogen Transfer Case: An Accurate Quantum Mechanical Scheme. J. PHYS. CHEM. LETT.[J]. 2015, 1824, http://www.irgrid.ac.cn/handle/1471x/982150.
[40] Pan, Lu, Zhang, Jiaxu, Bian, Wensheng. Theoretical study on the photodegradation reaction of deca-BDE in THF in the presence of furan. THEORETICAL CHEMISTRY ACCOUNTS[J]. 2015, 第 3 作者135(1): http://dx.doi.org/10.1007/s00214-015-1760-1.
[41] Ren, Yinghui, Bian, Wensheng. Mode-Specific Tunneling Splittings for a Sequential Double-Hydrogen Transfer Case: An Accurate Quantum Mechanical Scheme. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2015, 第 2 作者  通讯作者  6(10): 1824-1829, http://dx.doi.org/10.1021/acs.jpclett.5b00672.
[42] Shen, Zhitao, Cao, Jianwei, Bian, Wensheng. Quantum mechanical differential and integral cross sections for the C(D-1) + H-2(nu=0, j=0) -> CH(nu ', j ') plus H reaction. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 3 作者  通讯作者  142(16): http://dx.doi.org/10.1063/1.4919406.
[43] 边文生. Quantum mechanical differential and integral cross sections for the C(1D)+H2 (v=0, j=0) → CH(v', j') + H reaction. J. Chem. Phys.. 2015, 第 1 作者  通讯作者  
[44] Chunfang Zhang. Global analytical ab initio ground-state potential energy surface for the C(1 D)+H2reactive system. J. CHEM. PHYS.[J]. 2014, 234301, http://www.irgrid.ac.cn/handle/1471x/982148.
[45] Ying Wu. Quasiclassical Trajectory Study of the C(1D) + H2 → CH + H Reactionon a New Global ab Initio Potential Energy Surface. J. PHYS. CHEM. A[J]. 2014, 4235, http://www.irgrid.ac.cn/handle/1471x/982149.
[46] Wu, Ying, Zhang, Chunfang, Cao, Jianwei, Bian, Wensheng. Quasiclassical Trajectory Study of the C(D-1) + H-2 -> CH plus H Reaction on a New Global ab Initio Potential Energy Surface. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2014, 第 4 作者  通讯作者  118(24): 4235-4242, http://dx.doi.org/10.1021/jp504411j.
[47] Zhang, Chunfang, Fu, Mingkai, Shen, Zhitao, Ma, Haitao, Bian, Wensheng. Global analytical ab initio ground-state potential energy surface for the C(D-1)+H-2 reactive system. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 5 作者140(23): http://dx.doi.org/10.1063/1.4881896.
[48] Sun, Zhaopeng, Zhang, Chunfang, Lin, Shiying, Zheng, Yujun, Meng, Qingtian, Bian, Wensheng. Quantum reaction dynamics of the C(D-1) + H-2(D-2) -> CH(D) plus H(D) on a new potential energy surface. JOURNAL OF CHEMICAL PHYSICS[J]. 2013, 第 6 作者139(1): http://dx.doi.org/10.1063/1.4811844.
[49] Pan, Lu, Bian, Wensheng. Theoretical Study on the Photodegradation Mechanism of Nona-BDEs in Methanol. CHEMPHYSCHEM[J]. 2013, 第 2 作者  通讯作者  14(6): 1264-1271, http://dx.doi.org/10.1002/cphc.201200952.
[50] Pan, Lu, Bian, Wensheng, Zhang, Jiaxu. The Effect of Explicit Solvent on Photodegradation of Decabromodiphenyl Ether in Toluene: Insights from Theoretical Study. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2013, 第 2 作者  通讯作者  117(25): 5291-5298, http://dx.doi.org/10.1021/jp403958g.
[51] Pan Lu, Bian Wensheng. The Effect of Explicit Solvent on Photodegradation of Decabromodiphenyl Ether in Toluene: Insights from Theoretical Study. J PHYS CHEM A[J]. 2013, 第 2 作者5291-5298, http://www.irgrid.ac.cn/handle/1471x/982146.
[52] 孙兆鹏, 张春芳. Quantum reaction dynamics of the C(1D) + H2(D2) → CH(D) + H(D) on a new potential energy surface. J CHEM PHYS[J]. 2013, 014306-14306, http://www.irgrid.ac.cn/handle/1471x/982147.
[53] Zhang Chunfang, Ma Haitao, Bian Wensheng. Highly Accurate Ab Initio Potential Energy Surface for Chemical Reactions. PROGRESS IN CHEMISTRY[J]. 2012, 第 3 作者  通讯作者  24(6): 1082-1093, https://www.webofscience.com/wos/woscc/full-record/WOS:000306379200017.
[54] Haitao MaChunfang ZhangZhijun ZhangXiaojun LiuWensheng Bian. New ab Initio Potential Energy Surfaces for the Renner-Teller Coupled 1(1)A ' and 1(1)A '' States of CH2. ADVANCES IN PHYSICAL CHEMISTRY[J]. 2012, 2012: 
[55] Zhao, Hongmei, Pan, Lu, Bian, Wensheng. A theoretical study on the reaction mechanisms of O(3P)+1-butene. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY[J]. 2012, 第 3 作者  通讯作者  112(3): 858-872, http://dx.doi.org/10.1002/qua.23078.
[56] 张春芳, 马海涛, 边文生. 化学反应的高精度从头算势能面. 化学进展[J]. 2012, 第 3 作者24(6): 1082-1093, http://lib.cqvip.com/Qikan/Article/Detail?id=42079580.
[57] Yu, Le, Bian, Wensheng. Electronically excited-state properties and predissociation mechanisms of phosphorus monofluoride: A theoretical study including spin-orbit coupling. JOURNAL OF CHEMICAL PHYSICS[J]. 2012, 第 2 作者137(1): http://dx.doi.org/10.1063/1.4731635.
[58] Zhang, Zhijun, Li, Bin, Shen, Zhitao, Ren, Yinghui, Bian, Wensheng. Efficient quantum calculation of the vibrational states of acetylene. CHEMICAL PHYSICS[J]. 2012, 第 5 作者  通讯作者  400: 1-7, http://dx.doi.org/10.1016/j.chemphys.2012.01.010.
[59] Yu, Le, Bian, Wensheng. Extensive Theoretical Study on Electronically Excited States and Predissociation Mechanisms of Sulfur Monoxide Including Spin-Orbit Coupling. JOURNAL OF COMPUTATIONAL CHEMISTRY[J]. 2011, 第 2 作者  通讯作者  32(8): 1577-1588, http://dx.doi.org/10.1002/jcc.21737.
[60] Zhang, Zhijun, Ma, Haitao, Bian, Wensheng. Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 3 作者135(15): http://dx.doi.org/10.1063/1.3651081.
[61] Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Wensheng Bian, Yin Guo. Kinetic study on the H+SiH4 abstraction reaction using an ab initio potential energysurface. J CHEM PHYS[J]. 2011, 第 4 作者  通讯作者  024315, http://ir.iccas.ac.cn/handle/121111/27345.
[62] Li, Bin, Ren, Yinghui, Bian, Wensheng. Accurate Quantum Dynamics Study on the Resonance Decay of Vinylidene. CHEMPHYSCHEM[J]. 2011, 第 3 作者  通讯作者  12(13): 2418-2421, http://dx.doi.org/10.1002/cphc.201100144.
[63] Ren, Yinghui, Li, Bin, Bian, Wensheng. Full-dimensional quantum dynamics study of vinylidene-acetylene isomerization: a scheme using the normal mode Hamiltonian. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2011, 第 3 作者  通讯作者  13(6): 2052-2061, http://dx.doi.org/10.1039/c0cp01186j.
[64] Cao, Jianwei, Zhang, Zhijun, Zhang, Chunfang, Bian, Wensheng, Guo, Yin. Kinetic study on the H+SiH4 abstraction reaction using an ab initio potential energy surface. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 4 作者  通讯作者  134(2): http://dx.doi.org/10.1063/1.3521477.
[65] Cao, Jianwei, Zhang, Zhijun, Zhang, Chunfang, Liu, Kun, Wang, Manhui, Bian, Wensheng. Quasiclassical trajectory study of H+SiH4 reactions in full-dimensionality reveals atomic-level mechanisms. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA[J]. 2009, 第 6 作者  通讯作者  106(32): 13180-13185, http://dx.doi.org/10.1073/pnas.0903934106.
[66] Liu, Kun, Yu, Le, Bian, Wensheng. Extensive Theoretical Study on Various Low-Lying Electronic States of Silicon Monochloride Cation Including Spin-Orbit Coupling. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2009, 第 3 作者  通讯作者  113(9): 1678-1685, http://dx.doi.org/10.1021/jp809618y.
[67] Zhao, Wenwei, Pan, Lu, Bian, Wensheng, Wang, Jianping. Influence of solvent polarity and hydrogen bonding on the electronic transition of Coumarin 120: A TDDFT study. CHEMPHYSCHEM[J]. 2008, 第 3 作者  通讯作者  9(11): 1593-1602, http://www.corc.org.cn/handle/1471x/2392821.
[68] Liu, Kun, Bian, Wensheng. Extensive theoretical study on the low-lying electronic states of silicon monofluoride cation including spin-orbit coupling. JOURNAL OF COMPUTATIONAL CHEMISTRY[J]. 2008, 第 2 作者  通讯作者  29(2): 256-265, http://159.226.238.44/handle/321008/141148.
[69] 边文生. Quasiclassical trajectory study of the SiH4 +H -> SiH3 + H2 reaction on a global 12-dimensional ab initio potential energy surface. J. Phy. Chem.. 2008, 第 1 作者  通讯作者  
[70] Zhao, Wenwei, Bian, Wensheng. Investigation of the structures and electronic spectra of two coumarins with heterocyclic substituents through TD-DFT calculations. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM[J]. 2008, 第 2 作者  通讯作者  859(1-3): 73-78, http://www.corc.org.cn/handle/1471x/2388165.
[71] Wang, Manhui, Sun, Xiaomin, Bian, Wensheng. Quasiclassical trajectory study of the SiH4+H -> SiH3+H-2 reaction on a global ab initio potential energy surface. JOURNAL OF CHEMICAL PHYSICS[J]. 2008, 第 3 作者  通讯作者  129(8): http://159.226.238.44/handle/321008/140872.
[72] Li, Bin, Bian, Wensheng. Efficient quantum calculations of vibrational states of vinylidene in full dimensionality: A scheme with combination of methods. JOURNAL OF CHEMICAL PHYSICS[J]. 2008, 第 2 作者  通讯作者  129(2): http://159.226.238.44/handle/321008/141014.
[73] Ma, HaiTao, Shi, CongYun, Bian, WenSheng, Su, HongMei, Kong, FanAo. Reaction of CH2O with O-2. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2007, 第 3 作者20(4): 383-387, http://159.226.238.44/handle/321008/140715.
[74] Zhao, Wenwei, Bian, Wensheng. Investigation of the structures and electronic spectra for coumarin-6 through TD-DFT calculations including PCM solvation. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM[J]. 2007, 第 11 作者818(1-3): 43-49, http://dx.doi.org/10.1016/j.theochem.2007.05.002.
[75] Haitao Ma, Congyun Shi, Wensheng Bian, Hongmei Su, Fanao Kong. Reaction of CH_2Cl with O_2. CHINESE JOURNAL OF CHEMICAL PHYSICS[J]. 2007, 第 3 作者20(4): 383-387, http://sciencechina.cn/gw.jsp?action=detail.jsp&internal_id=3089344&detailType=1.
[76] Sun XIaomin, Wang Huayang, Cai Zhengting, Feng Dacheng, Bian Wensheng. Scattering Resonance States and Partial Potential Energy Surface of Reaction I ＋ HI ( v = 0 ) → IH ( v＇ = 0 ) ＋ I. 高等学校化学研究：英文版[J]. 2005, 第 5 作者21(5): 569-572, http://lib.cqvip.com/Qikan/Article/Detail?id=20166551.
[77] 孙孝敏, 王华阳, 蔡政亭, 冯大诚, 边文生. 偏分势能面及其应用（Ⅰ）：概念、构造方法及几个简例. 化学学报[J]. 2005, 第 5 作者63(5): 372-376, http://lib.cqvip.com/Qikan/Article/Detail?id=15238368.
[78] 马海涛, 边文生, 郑世钧, 孟令鹏. OH自由基的高精度量子化学研究. 化学学报[J]. 2005, 第 2 作者63(4): 263-268, http://lib.cqvip.com/Qikan/Article/Detail?id=11917792.
[79] 孙孝敏, 王华阳, 蔡政亭, 冯大诚, 边文生. I＋HI（y=0）→IH（y′=0）＋I体系散射共振态的理论研究. 高等学校化学学报[J]. 2004, 第 5 作者25(9): 1702-1705, http://lib.cqvip.com/Qikan/Article/Detail?id=10516925.
[80] 孙孝敏, 张君, 冯大诚, 蔡政亭, 边文生. 离子对生成反应Li＋I2→Li^＋＋I2^-的理论研究：从头算势能面和反应几率. 化学学报[J]. 2004, 第 5 作者62(16): 1477-1483, http://lib.cqvip.com/Qikan/Article/Detail?id=10501845.

指导学生

已指导学生

王满辉  博士研究生  070304-物理化学（含：化学物理）  

赵文伟  博士研究生  070304-物理化学  

刘锟  博士研究生  070304-物理化学  

马海涛  博士研究生  070304-物理化学  

张志军  博士研究生  070304-物理化学  

李斌  博士研究生  070304-物理化学  

曹剑炜  博士研究生  070304-物理化学  

吴莹  博士研究生  070304-物理化学  

潘璐  博士研究生  070304-物理化学  

于乐  博士研究生  070304-物理化学  

张春芳  博士研究生  070304-物理化学  

任迎辉  博士研究生  070304-物理化学  

申志涛  博士研究生  070304-物理化学  

吴锋  博士研究生  070304-物理化学  

付铭凯  博士研究生  070304-物理化学  

吴亚楠  博士研究生  070304-物理化学  

现指导学生

刘昊  博士研究生  070304-物理化学  

罗佳  硕士研究生  070304-物理化学  

李丰毅  博士研究生  070304-物理化学  

吴壮  硕士研究生  070304-物理化学  

夏文莎  博士研究生  070304-物理化学  

杨兴宇  硕士研究生  070304-物理化学  

李冬辉  博士研究生  070304-物理化学