李国良 - 华南师范大学

个人简介

2000年获北京理工大学博士学位，2000-2002年在中国科学院化学研究所从事博士后研究，2002-2005年在德国Stuttgart大学理论化学研究所进行客座研究，2006年起到华南师范大学工作，2014-2015年在美国Georgia大学计算量子化学研究中心访学。现为华南师范大学化学与环境学院教授、研究生导师，主要从事“理论化学、计算化学及其应用”等方面的教学科研工作。主持过广东省自然科学基金项目、教育部留学回国人员科研启动基金项目、国家重点实验室开放基金项目等课题，参与过国家自然科学基金重大项目、德国莱布尼玆基金项目、“973计划”前期研究专项课题等研究。已在国内外期刊上发表SCI论文60余篇，并被引用500多次。合作完成的论文“波恩-奥本海默近似在F+o-D2→DF+D反应中失效”以其重要的学术意义被国际著名期刊《Science》发表。

研究领域

（1）小分子反应精确势能面的理论计算（2）含杂配体过渡金属配合物结构的理论预测（3）掺杂的IVA族元素原子簇的结构及稳定性的理论研究

近期论文

查看导师新发文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

1.Structures of dimetallocenes M2(C5H5)2 (M = Zn, Cu, Ni, Co, Fe) and their perfluorinated derivatives Jing Li, Guoliang Li*, Yaoming Xie, R. Bruce King*, Henry F. Schaefer III New J. chem., 2017, 41(13), 5924-5933 2. Tetrafluoroethylene versus trifluoromethylfluorocarbene complexes of cobalt carbonyl Jialuo He, Guoliang Li*, Qian-shu Li, Yaoming Xie, R. Bruce King* J. Organomet. Chem., 2016, 811, 91-97 3.From gas phase to liquid water chemical reactions: F + (H2O)n, n=1-4systems Guoliang Li*, Yaoming Xie, Henry F. Schaefer* Chem. Phys. Lett., 2016, 648, 1-7 4. I + (H2O)2 → HI + (H2O)OH forward and reverse reactions. CCSD(T) studies including spin-orbit coupling Hui Wang, Guoliang Li*, Qian-Shu Li, Yaoming Xie,Henry F. Schaefer* J. Phys. Chem. B, 2016, 120(8), 1743-1748 5.The reaction between bromine and the water dimer and the highly exothermic reverse reaction Guoliang Li*, Hui Wang, Qian-Shu Li*, Yaoming Xie,Henry F. Schaefer*J. Comput. Chem., 2016, 37(2), 177-182 6.From gas phase to liquid water chemical reactions: the fluorine atom plus water trimer system Guoliang Li*, Qian-Shu Li, Yaoming Xie, Henry F. Schaefer*Angew. Chem. Int. Ed. 2015, 54(38), 11223-11226 7.The exothermic HCl + OH·(H2O) reaction: Removal of the HCl + OH barrier by a single water molecule Guoliang Li, Hui Wang, Qian-Shu Li*, Yaoming Xie, Henry F. Schaefer III*J. Chem. Phys., 2014, 140(12), 124316 8. The F + (H2O)2 reaction: the second water removes the barrier Guoliang Li, Qian-Shu Li*, Yaoming Xie, Henry F. Schaefer III* J. Phys. chem. A, 2013, 117(46), 11979-11982 9.The entrance complex, transition state, and exit complex for the F + H2O - HF + OH reaction. Definitive predictions. Comparison with popular density functional methods Guoliang Li, Liqing Zhou, Qian-Shu Li*, Yaoming Xie and Henry F. Schaefer III* Phys. Chem. Chem. Phys.,2012, 14(31), 10891-10895 10.Versatile behavior of the fluorophosphinidene ligand in iron carbonyl chemistry Liqing Zhou,Guoliang Li, Qian-Shu Li*, Yaoming Xie, R. Bruce King* Inorg. Chem., 2011, 50(24), 12531-12538 11. The structures and properties of FeSin/FeSin+/FeSin– (n = 1 - 8) clusters Yuan Liu, Guoliang Li*, Aimei Gao, Hongyu Chen*, David Finlow, Qian-shu LiEur. Phys. J. D, 2011, 64(1), 27-35 12.Butterfly and rhombus structures for binuclear cobalt carbonyl sulfur and phosphinidene complexes of the type Co2(CO)6E2 (E = S, PX) Guoliang Li, Qian-Shu Li, Ioan Silaghi-Dumitrescu, R. Bruce King, Henry F. Schaefer III Dalton Trans., 2009, 10474-10480 13.(Acetylene)dicobalt carbonyl derivatives: Decarbonylation of the H2C2Co2(CO)6 tetrahedrane Guoliang Li, Qian-Shu Li, Yaoming Xie, R. Bruce King, Henry F. Schaefer III Organometallics, 2009, 28(12), 3390-3394 14.New ab initio potential energy surfaces for the F+H2 reaction Guoliang Li, Hans-Joachim Werner, François Lique, Millard H. Alexander J. Chem. Phys., 2007, 127(17), 174302 15.Breakdown of the Born-Oppenheimer approximation in the F + o-D2 → DF + D reaction Li Che, Zefeng Ren, Xingan Wang, Wenrui Dong, Dongxu Dai, Xiuyan Wang, Dong H. Zhang, Xueming Yang, Liusi Sheng, Guoliang Li, Hans-Joachim Werner, François Lique, Millard H. Alexander Science, 2007, 317(5841), 1061-1064 16. Parity alternation effects in the stabilities of the second-row-atom-doped linear carbonclusters CnX/CnX+/CnX-(n=1-10; X=Na, Mg, Al, Si, P, S or Cl). A comparative studyGuoliang Li, Zichao TangJ. Phys. Chem. A, 2003, 107(27), 5317-5326 17. Structures and properties of the lead-doped carbon clusters PbCn/PbCn+/PbCn-(n=1-10) Guoliang Li, Xiaopeng Xing, Zichao TangJ. Chem. Phys., 2003, 118(15), 6884-6897