中国科学院化学研究所分子动态与稳态结构实验室杨新征

daxuetongxue

杨新征   博士，研究员，博士生导师
中国科学院化学研究所
分子动态与稳态结构国家重点实验室
北京市海淀区中关村北一街2号，2#314
邮编：100190
电话：010-82362928
邮件：xyang@iccas.ac.cn
ResearcherID: F-6893-2010
Scopus Author ID: 7406500351
ORCID: 0000-0002-2036-1220
1999年本科毕业于南开大学物理学系，2004年博士毕业于南开大学现代光学研究所。2004-2010年UT Austin化学系James E. Boggs教授课题组和Texas A&M University化学系Michael B. Hall教授课题组博士后。2010-2013年就职于UC Berkeley化学学院计算中心，作为Academic Staff独立开展科研工作。2013年受聘为中国科学院化学研究所分子动态与稳态结构国家重点实验室研究员，课题组长。2014年获中国科学院"百人计划"择优支持。现已在J. Am. Chem. Soc., J. Phys. Chem. Lett., ACS Catal., Chem. Commun., Chem. - Eur. J.等重要国际学术期刊发表研究论文70余篇，应邀撰写Chem. Rec.个人综述一篇，Elsevier出版社"The Chemistry of Pincer Compounds (第二版)"book chapter一章。目前主持国家自然科学基金面上项目2项。
研究领域
理论与计算化学、金属有机化学、催化剂设计
课题组致力于金属有机化学与催化的基础性、前瞻性理论研究。以高效、廉价的非贵金属催化剂设计为目标，使用现代计算量子化学方法，深入了解化学反应的微观动力学过程，揭示催化过程的本质，探索惰性化学键活化与转化的规律。目前的主要研究内容为：
1、氢气的活化、储存与制备
2、羰基化合物加氢与醇类化合物脱氢反应
3、二氧化碳的催化转化与利用
4、金属有机团簇的结构、光学与催化特性

2017

• De-Shan Bin, Zi-Xiang Chi, Yutao Li, Ke Zhang, Xinzheng Yang, Yong-Gang Sun, Jun-Yu Piao, An-Min Cao*, Li-Jun Wan*, "Controlling the compositional chemistry in single nanoparticles for functional hollow carbon nanospheres", J. Am. Chem. Soc. 2017. Accepted. DOI: 10.1021/jacs.7b07027
• Jing Shi, Bowen Hu, Xiangyang Chen, Shu Shang, Danfeng Deng, Yanan Sun, Weiwei Shi, Xinzheng Yang*, Dafa Chen* "Synthesis, reactivity and catalytic transfer hydrogenation activity of ruthenium complexes bearing NNN tridentate ligands: Influence of the secondary coordination sphere", ACS Omega, 2017, 2 (7), 3406-3416. DOI: 10.1021/acsomega.7b00410
• Hongyu Ge, Xiangyang Chen, Xinzheng Yang*, "Hydrogenation of carbon dioxide to methanol catalyzed by iron, cobalt, and manganese cyclopentadienone complexes: Mechanistic insights and computational design", Chem. - Eur. J. 2017, 23, 8850-8856. (Front cover, Very important paper) Cover Picture, Cover Profile,  DOI: 10.1002/chem.201701200
• Zheng Wang, Xiangyang Chen, Bo Liu, Qing-bin Liu*, Gregory A. Solan, Xinzheng Yang*, Wen-Hua Sun*, "Cooperative interplay between a flexible PNN-Ru(II) complex and a NaBH4 additive in the efficient catalytic hydrogenation of esters", Catal. Sci. Technol., 2017, 7 (6), 1297-1304. (Inside front cover) DOI: 10.1039/C6CY02413K
• Chunhua Dong, Mingsong Ji, Xinzheng Yang*, Jiannian Yao, Hui Chen*, "Mechanisms of the transfer hydroformylation catalyzed by rhodium, cobalt, and iridium complexes: Insights from density functional theory study", J. Organomet. Chem., 2017, 833, 71-79. DOI: 10.1016/j.jorganchem.2017.01.021
• Xiangyang Chen, Hongyu Ge, Xinzheng Yang*, "Newly designed manganese and cobalt complexes with pendant amines for the hydrogenation of CO2to methanol: A DFT study", Catal. Sci. Technol.,2017, 7 (2), 348-355. (Outside back cover)DOI: 10.1039/C6CY01551D
• Chunhua Dong, Mingsong Ji, Xinzheng Yang*, Jiannian Yao, Hui Chen*, "Reaction mechanisms of CO2 reduction to formaldehyde catalyzed by hourglass Ru, Fe, and Os complexes: A density functional theory study", Catalysts,2017, 7 (1), 5. (Invited contribution for special issue: Ruthenium Catalysts) DOI: 10.3390/catal7010005
  

2016

• Hongyu Ge, Yuanyuan Jing, Xinzheng Yang*, "Computational design of cobalt catalysts for hydrogenation of carbon dioxide and dehydrogenation of formic acid", Inorg. Chem., 2016, 55 (23), 12179-12184. DOI: 10.1021/acs.inorgchem.6b01723
• Hongyu Ge, Xiangyang Chen, Xinzheng Yang*, "A mechanistic study and computational prediction of iron, cobalt and manganese cyclopentadienone complexes for hydrogenation of carbon dioxide", Chem. Commun., 2016, 52, 12422-12425. (Outside back cover) DOI: 10.1039/C6CC05069G
• Bowen Hu, Xiangyang Chen, Dawei Gong, Wen Cui, Xinzheng Yang*, Dafa Chen*, "Reversible CO dissociation of tricarbonyl iodide [Fe]-hydrogenase models ligating acylmethylpyridyl ligands", Organometallics, 2016, 35 (17), 2993-2998. DOI: 10.1021/acs.organomet.6b00524
• Yuanyuan Jing, Xiangyang Chen, Xinzheng Yang*, "Theoretical study of the mechanism of ruthenium catalyzed dehydrogenation of methanol-water mixture to H2 and CO2", J. Organomet. Chem., 2016, 820, 55-61. DOI: 10.1016/j.jorganchem.2016.07.020
• Xiangyang Chen, Xinzheng Yang*, "Mechanistic insights and computational design of transition metal catalysts for hydrogenation and dehydrogenation reactions", Chem. Rec., 2016, 16 (5), 2364-2378. (Invited personal account for special issue: New Challenges for Catalysis from Theory to Experiment) DOI: 10.1002/tcr.201600049
• Xiangyang Chen, Yuanyuan Jing, Xinzheng Yang*, "Computational design of iron diphosphine complexes with pendant amines for hydrogenation of CO2 to methanol: A mimic of [NiFe]-hydrogenase", Chem. - Eur. J., 2016, 22 (26), 8897-8902. DOI: 10.1002/chem.201600764
• 邱兵, 景园园*, 杨新征*, "天然光合放氧反应的理论研究进展", 化学通报, 2016, 79, 579-583. Link
• Xiangyang Chen, Xinzheng Yang*, "Bioinspired design and computational prediction of iron complexes with pendant amines for the production of methanol from CO2 and H2", J. Phys. Chem. Lett., 2016, 7 (6), 1035-1041. DOI: 10.1021/acs.jpclett.6b00161
• Mingsong Ji, Chunhua Dong, Xinzheng Yang*, "Density functional theory prediction of cobalt pincer complexes for catalytic dehydrogenation of ethanol", J. Coord. Chem., 2016, 69, 1380-1387. DOI: 10.1080/00958972.2016.1157178
• Xiangyang Chen, Yuanyuan Jing,Xinzheng Yang*, "Unexpected direct hydride transfer mechanism for the hydrogenation of ethyl acetate to ethanol catalyzed by SNS pincer ruthenium complexes", Chem. - Eur. J., 2016, 22 (6), 1950-1957. (Hot paper, highlighted on the ChemistryViews) DOI: 10.1002/chem.201504058
• Mingsong Ji, Chunhua Dong, Huaye Zhang, Xinzheng Yang*, "Light−induced reaction of benzene with carbonates", Chin. J. Chem. Phys., 2016, 29, 319-324. DOI: 10.1063/1674-0068/29/cjcp1510204
• Bing Pan, Bo Liu, Erlin Yue, Qingbin Liu*, Xinzheng Yang, Zheng Wang, and Wen-Hua Sun*, "A ruthenium catalyst with unprecedented effectiveness for the coupling cyclization of g-aminoalcohols and secondary alcohols", ACS Catal., 2016, 6, 1247-1253. DOI: 10.1021/acscatal.5b02638
  

2015

• Yuanyuan Jing, Xiangyang Chen, Xinzheng Yang*, "Computational mechanistic study of the hydrogenation and dehydrogenation reactions catalyzed by cobalt pincer complexes", Organometallics, 2015, 34 , 5716-5722. DOI: 10.1021/acs.organomet.5b00798
• Xinzheng Yang*, "Bio-inspired computational design of iron catalysts for the hydrogenation of carbon dioxide", Chem. Commun., 2015, 51, 13098-13101. DOI: 10.1039/C5CC03372A
• Chunhua Dong, Xinzheng Yang*, Jiannian Yao, Hui Chen*, "Mechanistic study and ligand design for the formation of zinc formate complexes from zinc hydride complexes and carbon dioxide", Organometallics, 2015, 34, 121-126. DOI: 10.1021/om500985q
  

2014

• Andrew C. Lane, Matthew V. Vollmer, Charles H. Laber, Doris Y. Melgarejo, Gina M. Chiarella, John P. Fackler, Jr., Xinzheng Yang, Gary A. Baker, Justin R. Walensky*, "Multinuclear copper(I) and silver(I) amidinate complexes: Synthesis, luminescence, and CS2insertion reactivity", Inorg. Chem.,2014, 53, 11357-11366. DOI: 10.1021/ic501694d
• Juan Qiao, Chuanfang Chen, Li Qi*, Meirong Liu, Ping Dong, Qin Jiang, Xinzheng Yang*, Xiaoyu Mu, Lanqun Mao, "Intracellular temperature sensing by a ratiometric fluorescent polymer thermometer", J. Mater. Chem. B, 2014, 2, 7544-7550. DOI: 10.1039/c4tb01154f
• Xiaoyu Mu, Li Qi*, Juan Qiao, Xinzheng Yang*, Huimin Ma, "Enantioseparation of dansyl amino acids and dipeptides by chiral ligand exchange capillary electrophoresis based on Zn(II)-L-hydroxyproline complexes coordinating with γ-cyclodextrins", Anal. Chim. Acta, 2014, 846, 68-74.DOI: 10.1016/j.aca.2014.07.022
• Xinzheng Yang*, "Mechanistic insights into ruthenium-catalyzed production of H2 and CO2 from methanol and water: A DFT study", ACS Catal., 2014,4, 1129-1133. DOI: 10.1021/cs500061u
  

2013

• Xinzheng Yang*, "A self-promotion mechanism for efficient dehydrogenation of ethanol catalyzed by pincer ruthenium and iron complexes: Aliphatic vs. aromatic ligands", ACS Catal., 2013, 3, 2684-2688. DOI: 10.1021/cs400862x
• Michael I. Lipschutz, Xinzheng Yang, Ruchira Chatterjee, T. Don Tilley*, "A structurally rigid bis(amido) ligand framework in low-coordinate Ni(I), Ni(II), and Ni(III) analogues provides access to a Ni(III) methyl complex via oxidative addition", J. Am. Chem. Soc., 2013, 135, 15298-15301. DOI:10.1021/ja408151h
• Xinzheng Yang*, "Mechanistic insights into iron catalyzed dehydrogenation of formic acid: β-hydride elimination vs. direct hydride transfer", Dalton Trans., 2013, 42, 11987-11991. DOI: 10.1039/C3DT50908G
• Richard D. Adams*, Mingwei Chen, Gaya Elpitiya, Xinzheng Yang*, Qiang Zhang, "Semibridging phenyl ligands in iridium−copper and −silver cluster compounds: Synthesis, structures and bonding", Organometallics, 2013, 32, 2416-2426. DOI: 10.1021/om400133w
• Li Dang, Mohamed F. Shibl, Xinzheng Yang, Daniel J. Harrison, Aiman Alak, Alan J. Lough, Ulrich Fekl*, Edward N. Brothers*, Michael B. Hall*, "Apparent anti-Woodward-Hoffmann addition to a nickel bis(dithiolene) complex: The reaction mechanism involves reduced, dimetallic intermediates",Inorg. Chem., 2013, 52, 3711-3723. DOI: 10.1021/ic302236u
  

2012

• Xinzheng Yang*, "DFT and QTAIM study of intramolecular and intermolecular Fe−Hδ−∙∙∙Hδ+−O dihydrogen bonds", J. Clust. Sci., 2012, 23, 703-711. (Invited contribution to "Richard D. Adams 65th Birthday Issue") DOI: 10.1007/s10876-012-0479-6
• Xinzheng Yang*, "Metal hydride and ligand proton transfer mechanism for the hydrogenation of dimethyl carbonate to methanol catalyzed by a pincer ruthenium complex", ACS Catal.,2012, 2, 964-970. DOI: 10.1021/cs3000683
• Richard D. Adams*, Mingwei Chen, Xinzheng Yang*, "Iridium−gold cluster compounds: Syntheses, structures and an unusual ligand-induced skeletal rearrangement", Organometallics, 2012, 31, 3588-3598. DOI: 10.1021/om3001026
• Eric J. Sundstrom, Xinzheng Yang, Hemamala I. Karunadasa, Sara V. Thoi, Christopher J. Chang, Jeffrey R. Long, Martin Head-Gordon*, "A computational and experimental study of the mechanism of hydrogen generation from water by a molecular molybdenum-oxo electrocatalyst", J. Am. Chem. Soc., 2012, 134, 5233-5242. DOI: 10.1021/ja210949r
• Li Dang, Mohamed F. Shibl, Xinzheng Yang, Aiman Alak, Daniel J. Harrison, Ulrich Fekl*, Edward N. Brothers*, Michael B. Hall*, "The mechanism of alkene addition to a nickel bis(dithiolene): The role of the reduced metal complex", J. Am. Chem. Soc., 2012, 134, 4481-4484. DOI: 10.1021/ja2107965
• Robert J. Wright, Wei Zhang, Xinzheng Yang*, Meg Fasulo, T. Don Tilley*, "Isolation, observation, and computational modeling of proposed intermediates in catalytic proton reductions with the hydrogenase mimic Fe2(CO)6S2C6H4", Dalton Trans., 2012, 41, 73-82. DOI: 10.1039/C1DT11428J
• Li Dang, Xinzheng Yang, Edward N. Brothers*, Michael B. Hall*, "Computational studies on ethylene addition to nickel bis(dithiolene)", J. Phys. Chem. A, 2012, 116, 476-482. DOI: 10.1021/jp205971b
  

2011

• Chang Won Yoon, Kurt F. Hirsekorn, Michael L. Neidig, Xinzheng Yang, T. Don Tilley*, "Mechanism of the decomposition of aqueous hydrogen peroxide over heterogeneous TiSBA15 and TS-1 selective oxidation catalysts: Insights from spectroscopic and DFT studies", ACS Catal., 2011, 1, 1665-1678.DOI: 10.1021/cs2003774
• Richard D. Adams*, Qiang Zhang, Xinzheng Yang*, "Two dimensional bimetallic carbonyl cluster complexes with new properties and reactivities", J. Am. Chem. Soc., 2011, 133, 15950-15953. DOI: 10.1021/ja207840w
• Xinzheng Yang*, "Unexpected direct reduction mechanism for hydrogenation of ketones catalyzed by iron PNP pincer complexes", Inorg. Chem., 2011,50, 12836-12843. DOI: 10.1021/ic2020176
• Xinzheng Yang*, "Hydrogenation of carbon dioxide catalyzed by PNP pincer iridium, iron and cobalt complexes: A computational design of base metal catalysts", ACS Catal., 2011, 1, 849-854. DOI: 10.1021/cs2000329
• Michael W. George*, Michael  B. Hall*, Peter Portius, Michael Towrie, Xue-Zhong Sun, Xinzheng Yang, "Combined experimental and theoretical investigation into C−H activation of cyclic alkanes by Cp′Rh(CO)2 (Cp′ = η5-C5H5 or η5-C5Me5)", Dalton Trans., 2011, 40, 1751-1757. DOI: 10.1039/c0dt00661k
  

2005 ~ 2010 (Postdoc)

• Michael W. George*, Michael B. Hall*, Omar S. Jina, Peter Portius, Xue-Zhong Sun, Michael Towrie, Hong Wu, Xinzheng Yang, Snežana D. Zaric, "Understanding the factors affecting the activation of alkane by Cp′Rh(CO)2 (Cp′ = Cp or Cp*)",Proc. Natl. Acad. Sci. USA, 2010, 107, 20178-20183.DOI: 10.1073/pnas.1001249107
• Xinzheng Yang, Michael B. Hall*, "Unexpected μ-oxo five-member ring intermediates for oxygen atom transfer between osmium complexes", J. Coord. Chem., 2010, 63, 2846-2853. (Invited contribution for "Rudi van Eldik" special issue) DOI: 10.1080/00958972.2010.506612
• Xinzheng Yang, Michael B. Hall*, "Mechanism of water splitting and oxygen−oxygen bond formation by a mononuclear ruthenium complex", J. Am. Chem. Soc., 2010, 132, 120-130. DOI: 10.1021/ja9041065
• Thomas M. Douglas, Adrian B. Chaplin, Andrew S. Weller*, Xinzheng Yang, Michael B. Hall*, "Monomeric and oligomeric amine−borane σ-complexes of rhodium: Intermediates in the catalytic dehydrogenation of amine−boranes",J. Am. Chem. Soc., 2009, 131, 15440-15456. DOI: 10.1021/ja906070r
• Xinzheng Yang, Michael B. Hall*, "Monoiron hydrogenase catalysis: Hydrogen activation with the formation of a dihydrogen, Fe−Hδ−∙∙∙Hδ+−O, bond and methenyl-H4MPT+ triggered hydride transfer", J. Am. Chem. Soc., 2009, 131, 10901-10908. DOI: 10.1021/ja902689n
• Xinzheng Yang, Michael B. Hall*, "Density functional theory study of the mechanism for Ni(NHC)2 catalyzed dehydrogenation of ammonia−borane for chemical hydrogen storage", J. Organomet. Chem., 2009, 694, 2831-2838. (Invited contribution for "Organometallics for Energy Conversion" special issue)DOI:10.1016/j.jorganchem.2009.04.018
• Xinzheng Yang, Michael B. Hall*, "Density functional theory study of the reaction mechanism for competitive carbon−hydrogen and carbon−halogen bond activations catalyzed by transition metal complexes", J. Phys. Chem. A, 2009, 113, 2152-2157.DOI: 10.1021/jp809272y
• Richard D. Adams*, Michael B. Hall*, William C. Pearl Jr., Xinzheng Yang, "Transformations and reactions of Re2(CO)8(μ-SbPh2)(μ-H) induced by the addition of a platinum(tri-t-butylphosphine) group", Inorg. Chem., 2009, 48, 652-662. DOI: 10.1021/ic801876s
• Xinzheng Yang, Michael B. Hall*, "Trigger mechanism for the catalytic hydrogen activation by monoiron (iron−sulfur cluster-free) hydrogenase", J. Am. Chem. Soc., 2008, 130, 14036-14037. DOI:10.1021/ja804364p
• Richard D. Adams*, Erin Boswell, Michael B. Hall*, Xinzheng Yang, "Activation of hydrogen and related small molecules by the unsaturated cluster complexPtOs3(CO)7(PBut3)(μ-PBut2)(μ4-CHCMeCH)", Organometallics, 2008, 27, 4938-4947. DOI: 10.1021/om800467v
• Xinzheng Yang, Michael B. Hall*, "The catalytic dehydrogenation of ammonia−borane involving an unexpected hydrogen transfer to ligated carbene and subsequent carbon−hydrogen activation", J. Am. Chem. Soc., 2008, 130, 1798-1799. DOI: 10.1021/ja0751328
• Richard D. Adams*, Burjor Captain, Michael B. Hall*, Eszter Trufan, Xinzheng Yang, "The synthesis, characterization and electronic structures of a novel series of two-dimensional trimetallic cluster complexes, Ru3(CO)9(μ-SnPh2)3[Pt(PBut3)]x, x = 0 – 3", J. Am. Chem. Soc., 2007, 129, 12328-12340. DOI: 10.1021/ja074527o
• Xinzheng Yang, Michael B. Hall*, "An apparent violation of microscopic reversibility: Mechanisms for ligand substitution reactions of oxorhenium(V) dithiolate complexes", J. Am. Chem. Soc., 2007, 129, 1560-1567. DOI: 10.1021/ja065428y
• Xinzheng Yang, James E. Boggs*, "Extensive ab initio study of the valence and low-lying Rydberg states of BBr including spin-orbit coupling", J. Chem. Phys., 2006, 124, 194307. DOI: 10.1063/1.2197830
• Xinzheng Yang, James E. Boggs*, "Extensive ab initio study of the electronic states of SCl including spin-orbit coupling", J. Chem. Phys., 2005, 123, 184304. DOI: 10.1063/1.2107587
• Xinzheng Yang, James E. Boggs*, "Ab initio study of the electronic states of BS including spin-orbit coupling", Chem. Phys. Lett., 2005, 410, 269-274.DOI:10.1016/j.cplett.2005.05.089
• Xinzheng Yang and James E. Boggs*, "Ground and valence-excited states of SF: A multireference configuration interaction with single and double excitations + Q study", J. Chem. Phys., 2005, 122, 194307.DOI:10.1063/1.1897380
  

2002 ~ 2004 (Graduate Student)

• Xinzheng Yang, Meirong Lin*, Baozheng Zhang, "The ground and valence excited states of GaBr: A MR-CISD + Q study", J. Phys. Chem. A, 2004,108, 4341-4346. DOI: 10.1021/jp049868s
• Xinzheng Yang, Meirong Lin*, Baozheng Zhang, "Ground and valence excited states of BI: A MR-CISD + Q study", J. Chem. Phys., 2004, 120, 7470-7475. DOI: 10.1063/1.1689647
• Xinzheng Yang, Meirong Lin*, Baozheng Zhang, "An ab initio study of the ground and valence excited states of GaF", J. Chem. Phys., 2004, 120, 4289-4296. DOI: 10.1063/1.1643718
• Jun Dai, Meirong Lin*, Xinzheng Yang, Baozheng Zhang, "CCSD-LRT study of the electronic states of InI", Acta. Phys.-Chim. Sin., 2004, 20, 860-863.DOI:10.3866/PKU.WHXB20040815
• Xinzheng Yang, Meirong Lin*, Wenli Zou, Baozheng Zhang, "Spectroscopic constants of gallium monohalides: A DFT study", J. Mol. Struc.: THEOCHEM, 2004, 668, 209-215. DOI:10.1016/j.theochem.2003.10.061
• Xinzheng Yang, Meirong Lin*, Baozheng Zhang, "MR-AQCC study on the ground and low-lying excited states of GaI", Chem. Phys. Lett., 2003, 382, 160-166. DOI:10.1016/j.cplett.2003.10.059
• Xinzheng Yang, Meirong Lin*, Wenli Zou, Baozheng Zhang, "An ab initio study of the ground and valence excited states of GaCl", J. Phys. B: At. Mol. & Opt. Phys., 2003, 36, 4651-4665. DOI:10.1088/0953-4075/36/23/005
• Xinzheng Yang, Meirong Lin*, Wenli Zou, Yunjing Li, Baozheng Zhang, "Experimental and theoretical study on the electronic states and spectra of InBr", Phys. Chem. Chem. Phys., 2003, 5, 4786-4789. DOI: 10.1039/b306183c
• Xinzheng Yang, Meirong Lin*, Wenli Zou, Baozheng Zhang, "Time-dependent density functional theory study of the electronic states of BI", J. Phys. B: At. Mol. & Opt. Phys., 2003, 36, 2283-2290. DOI:10.1088/0953-4075/36/11/313
• Wenli Zou, Meirong Lin*, Xinzheng Yang, Baozheng Zhang, "Ab initio calculations on the ground and excited states of InI", Mol. Phys., 2003, 101, 2963-2968.DOI:10.1080/00268970310001614246
• Wenli Zou, Meirong Lin*, Xinzheng Yang, Baozheng Zhang, "Ab initio calculations on the ground and low-lying excited states of InCl", J. Chem. Phys.,2003, 119, 3721-3728. DOI: 10.1063/1.1591732
• Xinzheng Yang, Meirong Lin*, Wenli Zou, Baozheng Zhang, "Ab initio study on the ground and low-lying excited states of GaH", Chem. Phys. Lett., 2003, 372, 355-361. DOI:10.1016/S0009-2614(03)00434-2
• Wenli Zou, Meirong Lin*, Xinzheng Yang, Baozheng Zhang, "Ab initio calculations on the ground and low-lying excited states of InH", Phys. Chem. Chem. Phys., 2003, 5, 1106-1109. DOI: 10.1039/b211601d
• Wenli Zou, Meirong Lin*, Xinzheng Yang, Baozheng Zhang, "Time-dependent DFT study on the electronic states of BBr", Chem. Phys. Lett., 2003,369, 214-219. DOI:10.1016/S0009-2614(02)02007-9
• Xinzheng Yang, Meirong Lin*, Wenli Zou, Baozheng Zhang, "DFT study on the ground and the first excited states of gallium monohalides", Chem. Phys. Lett., 2002, 362, 190-198. DOI:10.1016/S0009-2614(02)01034-5
• Wenli Zou, Meirong Lin*, Xinzheng Yang, Baozheng Zhang, "Theoretical study of C1Π−X1Σ+ transition of InCl", Chem. Phys. Lett., 2002, 356, 523-526.DOI:10.1016/S0009-2614(02)00405-0