李国良
1946韦德官方网站(亚洲)集团有限公司/物理化学研究所 2015-03-17 08:52:00 来源：1946韦德官方网站(亚洲)集团有限公司 点击： 收藏本文
姓名：李国良
职称：教授
公司产品：硕导/博导
Email：glli77@aliyun.com
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
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。
主要论文：
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 carbon
clusters CnX/CnX+/CnX-(n=1-10; X=Na, Mg, Al, Si, P, S or Cl). A comparative study
Guoliang Li, Zichao Tang
J. 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 Tang
J. Chem. Phys., 2003, 118(15), 6884-6897
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