1. Hui-Fang Li and Huai-Qian Wang, Probing the stability of neutral and anionic transition- metal-doped golden cage nanoclusters: M@Au16 (M=Sc, Ti, V). Physical Chemistry Chemical Physics 2014，16，244-254 2. Hui-Fang Li, Xiao-Yu Kuang, and Huai-Qian Wang Probing the structural and magnetic properties of transition metal-benzene anion complexes Dalton Transactions,2011, 40, 4578-4589 3.Hui-Fang Li, Xiao-Yu Kuang, and Huai-Qian WangProbing the structural and electronic properties of lanthanide-metal-doped silicon clusters: M@Si6(M = Pr, Gd, Ho)Physics Letters A 2011, 375, 2836-2844 4.Hui-Fang Li, Xiao-Yu Kuang, and Huai-Qian WangOptical and magnetic properties of transition-metal ions in tetrahedral and octahedral compoundsScience China, 2011, 54, 1796-1800 5.Hui-Fang Li,Xiao-Yu Kuang, and Huai-Qian WangLocal structural properties of (NiF6)4- clusters in perovskite fluorides RbMF3 series: EPR and optical spectra study in tetragonal and trigonal ligand fieldChemical Physics Letters, 2008, 462, 133-137 6. Hui-Fang Li,Xiao-Yu Kuang, and Huai-Qian WangEffect on the EPR and local lattice structure distortion of V3+ ion doping corundum crystal: Three models studiesMolecular Physics, 2008, 106, 1879-1885 7.Hui-Fang Li,Xiao-Yu Kuang, and Huai-Qian WangInvestigations of local lattice structure and the effects of orbital reduction factor on the g factors of trigonal [Ni(H2O)6]2+ cluster inNiTiF6·6H2O and ZnSiF6·6H2O crystals at different temperaturesZeitschrift für Naturforschung Section A,2008, 63, 609-615 8. Huai-Qian Wang, and Hui-Fang Li, A combined stochastic search and density functional theory study on the neutral and charged silicon-based clusters MSi6 (M=La, Ce, Yb and Lu). RSC Advances 2014, 4, 29782-29793 9. Huai-Qian Wang, and Hui-Fang Li, Structure identification of endohedral golden cage nanoclusters. RSC Advances 2015, 5, 94685-94693 10 Huai-Qian Wang, and Hui-Fang Li Probing the structural and electronic properties of small vanadium dioxide clusters by density functional theory and comparison with experimental photoelectron spectroscopy. Journal of Chemical Physics 2012, 137, 164304 11.Huai-Qian Wang, Xiao-Yu Kuang, and Hui-Fang Li Density functional study of structural and electronic properties of bimetallic copper-gold clusters: comparison with pure and doped gold clustersPhysical Chemistry Chemical Physics, 2010, 12, 5156-5165 12.Huai-Qian Wang, Hui-Fang Li, and Xiao-Yu Kuang Probing the structural and electronic properties of small vanadium monoxide clusters. Physical Chemistry Chemical Physics, 2012, 14,5272-5283 13.Huai-Qian Wang, Xiao-Yu Kuang, and Hui-Fang LiStructural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc:The Journal of Physical Chemistry A, 2009, 113, 14022-14028 14.Huai-Qian Wang, Xiao-Yu Kuang, Hui-Fang Li, and Ai-Jie MaoComparative analysis of the difference of local structure between EPR theory and X-ray diffraction experiment for NiSiF6·6H2O crystalJournal of Alloys and Compounds,2009, 468, 1-6 15.Huai-Qian Wang, Xiao-Yu Kuang, Hui-Fang LiStudies of EPR theory and trigonal distortion of the (NiX6)4- clusters (X = halide ion) in the series of perovskite crystals AMX3 (A = Rb, Cs; M = Cd, Mg; X = halide ion) Chemical Physics Letters,2008, 460, 365-369 16.Huai-Qian Wang, Xiao-Yu Kuang, and Hui-Fang LiEPR and optical spectra of Ni2+-VAg in silver chlorideMolecular Physics, 2009, 107, 621-627 17.Wen-Yan Tian，Xiao-Yu Kuang,Hui-Fang Li, Yan-Fang Li, Ying LiEPR investigation of local structure for [Mn(H2O)6]2+ cluster in M(H2O)6XCl6: Mn2+ (M=Zn, Mg, Cd, Ca; X = Pt, Sn) systems at different temperatures Chemical Physics Letters,2009, 468, 325-329 18.Huai-Qian Wang, Hui-Fang Li, Jia-Xian Wang, and Xiao-Yu KuangStructural, electronic and magnetic effects of Al-doped niobium clusters: a density functional theory study. Journal of Molecular Modeling, 2012,18, 2993-3001 19. Li-Xia Wang, Xiao-Yu Kuang,Hui-Fang Li, Rui-Peng Cai, Huai-Qian Wang Theoretical study of local structure and ground-state splitting of Cs2NaMF6 (M= Al, Ga):Cr3+ complex molecule systermsActa Physica Sinica, 2010, 59,6501-6507 20.Ming-Liang Gao, Xiao-Yu Kuang, Hui-Fang Li, and Huai-QianWangEffects of Concentration, Temperature and Hydrostatic Pressure on the Local Lattice Structure of Ni2+ Doped Zn(BF4)2·6H2O CrystalZeitschrift für Naturforschung2008, 64a, 511-517 21.Peng Lu,Xiao-Yu Kuang, Hui-Fang Li, and Huai-Qian WangDirect MP2 Molecular Dynamics Studies of H Atom Reaction with CD4 and CH4International Journal of Quantum Chemistry, 2011,111, 4433-4442 |
