李国良 - 华南师范大学 - 化学与环境学院

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

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Coupling of trifluoromethyl isocyanide ligands in binuclear iron carbonyl complexesGuoliang Li, Lihua Liu, Jing Wang, Qian-Shu Li*, Yaoming Xie, R. Bruce King*J. Fluorine Chem. 2014, 166, 34-43 Structures and properties of the potassium-doped carbon clusters KCn/KCn+/KCn- (n=1-10)Hui Wang, Guoliang Li*Eur. Phys. J. D, 2014, 68(7), 182 The exothermic HCl + OH·(H2O) reaction: Removal of the HCl + OH barrier by a single water moleculeGuoliang Li, Hui Wang, Qian-Shu Li*, Yaoming Xie, Henry F. Schaefer III*J. Chem. Phys., 2014, 140(12), 124316 The F + (H2O)2 reaction: the second water removes the barrierGuoliang Li, Qian-Shu Li*, Yaoming Xie, Henry F. Schaefer III*J. Phys. chem. A, 2013, 117(46), 11979-11982 Binuclear methylaminobis(difluorophosphine) iron carbonyls: phosphorus-nitrogen bond cleavage in preference to iron-iron multiple bond formationGuoliang Li, Liqing Zhou, Xiuming Zhai, Qian-Shu Li*, Yaoming Xie, R. Bruce King*, Henry F. Schaefer IIINew J. chem., 2013, 37(10), 3294-3302 The entrance complex, transition state, and exit complex for the F + H2O - HF + OH reaction. Definitive predictions. Comparison with popular density functional methodsGuoliang Li, Liqing Zhou, Qian-Shu Li*, Yaoming Xie and Henry F. Schaefer III*Phys. Chem. Chem. Phys., 2012, 14(31), 10891-10895 Versatile behavior of the fluorophosphinidene ligand in iron carbonyl chemistryLiqing Zhou, Guoliang Li, Qian-Shu Li*, Yaoming Xie, R. Bruce King*Inorg. Chem., 2011, 50(24), 12531-12538 The structures and properties of FeSin/FeSin+/FeSin– (n = 1 - 8) clustersYuan Liu, Guoliang Li*, Aimei Gao, Hongyu Chen*, David Finlow, Qian-shu LiEur. Phys. J. D, 2011, 64(1), 27-35 Binuclear cyclopentadienylcobalt sulfur and phosphinidene complexes Cp2Co2E2 (E = S, PX): comparison with their iron carbonyl analoguesGuoliang Li, Qian-Shu Li, Ioan Silaghi-Dumitrescu, R. Bruce King, Henry F. Schaefer IIIJ. Organomet. Chem., 2010, 695(6), 804-808 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 IIIDalton Trans., 2009, 10474-10480 (Acetylene)dicobalt carbonyl derivatives: Decarbonylation of the H2C2Co2(CO)6 tetrahedraneGuoliang Li, Qian-Shu Li, Yaoming Xie, R. Bruce King, Henry F. Schaefer IIIOrganometallics, 2009, 28(12), 3390-3394 New ab initio potential energy surfaces for the F+H2 reactionGuoliang Li, Hans-Joachim Werner, François Lique, Millard H. AlexanderJ. Chem. Phys., 2007, 127(17), 174302 Breakdown of the Born-Oppenheimer approximation in the F + o-D2 → DF + D reactionLi 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 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 studyGuoliang Li, Zichao Tang J. Phys. Chem. A, 2003, 107(27), 5317-5326 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