(1) 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 4 (2014) 29782-29793 (SCI, JCR一区, IF = 3.84, Citation= 6) (2) Huai-Qian Wang* and Hui-Fang Li, Structure identification of endohedral golden cage nanoclusters. RSC Advances 5 (2015) 94685-94693 (SCI, JCR一区, IF = 3.84) (3) 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 137(2012) 164304 (SCI, 物理top期刊, JCR一区, IF= 3.333, Citation= 7) (4) 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 16 (2014) 244-254 (SCI, JCR一区, IF= 4.493, Citation= 5) (5) 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 14 (2012) 5272-5283 (SCI, JCR一区, IF = 4.493, Citation= 11) (6) 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 clusters. Physical Chemistry Chemical Physics 12 (2010) 5156-5165 (SCI, JCR一区, IF= 4.493, Citation= 49) (7) Huai-Qian Wang, Xiao-Yu Kuang, and Hui-Fang Li, Structural, electronic, and magnetic properties of gold cluster anions doped with zinc:AunZn-. Journal of Physical Chemistry A 113 (2009) 14022-14028 (SCI, JCR二区, IF= 2.899, Citation= 15) (8) Huai-Qian Wang, Xiao-Yu Kuang, Hui-Fang Li, and Ai-Jie Mao, Comparative analysis of the difference of local structure between EPR theory and X-ray diffraction experiment for NiSiF6·6H2O crystal. Journal of Alloys and Compounds 468 (2009) 1-6 (SCI, 工程技术top期刊, JCR一区, IF= 2.135, Citation= 3) (9) Huai-Qian Wang*, Hui-Fang Li and Li-Xin Zheng, Doping golden cage clusters M@Au16q (M=Cr, Mn; q=0, ?1) with adjustable magnetic properties. Journal of Magnetism and Magnetic Materials 344 (2013) 79-84 (SCI, JCR二区, IF= 1.78, Citation= 2) (10) Huai-Qian Wang*, Hui-Fang Li, Jia-Xian Wang and Xiao-Yu Kuang, Structural, electronic and magnetic effects of Al-doped niobium clusters: a density functional theory study. Journal of Molecular Modeling 18 (2012) 2993-3001 (SCI, JCR二区, IF= 1.871, Citation= 10) (11) Huai-Qian Wang* and Hui-Fang Li, Probing the structural and electronic properties of Al-doped small niobium clusters. Chemical Physics Letters 554 (2012) 231-235 (SCI, JCR二区, IF= 2.291, Citation= 6) (12) Hui-Fang Li, Huai-Qian Wang*, and Xiao-Yu Kuang, Optical and magnetic properties of transition-metal ions in tetrahedral and octahedral compounds. Science China Physics, Mechanics & Astronomy 54 (2011) 1796-1800 (SCI, JCR三区, IF= 1.195, Citation= 3) (13) Huai-Qian Wang, Xiao-Yu Kuang, and Hui-Fang Li, EPR and optical spectra of Ni2+-VAg in silver chloride. Molecular Physics 107 (2009) 621-627 (SCI, JCR三区, IF= 1.634, Citation= 2) (14) Huai-Qian Wang, Xiao-Yu Kuang, and Hui-Fang Li, Studies 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 460 (2008) 365-369 (SCI, JCR二区, IF= 2.291, Citation= 6) (15) Huai-Qian Wang* and Hui-Fang Li, Density functional study on structures, stabilities, electronic and magnetic properties of NbnO (n=3-10) clusters. Computational and Theoretical Chemistry 1006 (2013) 70-75 (SCI, JCR三区, IF= 1.437, Citation= 3) (16) Lin Sun, Huai-Qian Wang*, Meng Wu, Hui-Fang Li, Theoretical study on structure stability and magnetic properties of SnnSm(n=1~9) clusters. Chemical Journal of Chinese Universities 37(10) (2016) 1840-1848 (SCI, JCR四区, IF= 0.954) (17) Li-Mei Chen, Huai-Qian Wang*, and Li-Xin Zheng, DFT study of the structures and properties of NbnAl clusters. Journal of Huaqiao University (Natural Science) 34 (2013) 627-631 (18) Shan Wu, Huai-Qian Wang*, Jia-Qi Li, Ying-Yu Li, Yi-Nan Yu, and Jia Han, Density functional Theory study of the structures and relative stabilities of platinum clusters. Journal of Huaqiao University (Natural Science) 36 (2015) 35-39 (19) Xiang-Ying Sun, Lu-Lu Wu, Jiang-Shan Shen, Xue-Gong Cao, Cunjin Wen, Bin Liu and Huai-Qian Wang, Highly selective and sensitive sensing for Al3+ and F? based on green photoluminescent carbon dots. RSC Advances 6 (2016) 97346-97351 (SCI, JCR一区, IF = 3.84) (20) Hui-Fang Li, Xiao-Yu Kuang, and Huai-Qian Wang, Probing the structural and magnetic properties of transition metal-benzene anion complexes. Dalton Transactions 40 (2011) 4578 -4589 (SCI, JCR一区, IF= 4.197, Citation = 4) (21) Hui-Fang Li, Xiao-Yu Kuang, and Huai-Qian Wang, Probing the structural and electronic properties of lanthanide-metal-doped silicon clusters: MSi6 (M = Pr, Gd, Ho). Physics Letters A 375 (2011) 2836-2844(SCI, JCR二区, IF= 2.009, Citation= 14) (22) Jian-Bing Gu, Xiang-Dong Yang, Huai-Qian Wang, and Hui-Fang Li, Structural, electronic, and magnetic properties of boron cluster anions doped with aluminum: BnAl- (
). Chinese Physics B 21 (2012) 043102 (SCI, JCR二区, IF= 2.103, Citation= 9) (23) Chen-Ju Wang, Xiao-Yu Kuang, Huai-Qian Wang, Hui-Fang Li, and Ai-Jie Mao, Geometries, stabilities, electronic, and magnetic properties of small aluminum cluster anions doped with iron: A density functional theory study. Computational and Theoretical Chemistry 980 (2012) 7-14 (SCI, JCR三区, IF = 1.437, Citation = 3) (24) Chen-Ju Wang, Xiao-Yu Kuang*, Huai-Qian Wang, Hui-Fang Li, Jian-Bing Gu, and Jun Liu, Density-functional investigation of the geometries, stabilities, electronic, and magnetic properties of gold cluster anions doped with aluminum: AunA1-. Computational and Theoretical Chemistry 1002 (2012) 31-36 (SCI, JCR三区, IF= 1.437, Citation=17) (25) Peng Shao, Xiao-Yu Kuang, Ya-Ru Zhao, Huai-Qian Wang, and Yan-Fang Li, Structural, electronic and magnetic properties of gold doped with calcium: AunCa (n=1-8). Molecular Physics 109 (2011) 315-323 (SCI, JCR三区, IF= 1.634, Citation= 6) (26) Ming-Min Zhong, Xiao-Yu Kuang, Huai-Qian Wang, Hui-Fang Li, Ya-Ru Zhao, Density functional study of structural and electronic properties of tetra-aluminum oxide
(
,
) clusters. Molecular Physics 109 (2011) 603-612 (SCI, JCR三区, IF= 1.634, Citation= 3) (27) Peng Lu, Xiao-Yu Kuang, Hui-Fang Li, and Huai-Qian Wang, Direct MP2 Molecular Dynamics Studies of H Atom Reaction with CD4 and CH4. International Journal of Quantum Chemistry 111 (2011) 4433-4442 (SCI, JCR三区, IF= 1.315, Citation= 1) (28) Yan-Fang Li, Xiao-Yu Kuang, Ming-Liang Gao, Ya-Ru Zhao, and Huai-Qian Wang, Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)6]3+ coordination complex in the sulfate alums series: a ligand field theory study. Chinese Physics B 18 (2009) 2967-2974 (SCI, JCR二区, IF= 2.103, Citation= 4) (29) Ming-Liang Gao, Xiao-Yu Kuang, Hui-Fang Li, and Huai-Qian Wang, Effects of concentration, temperature and hydrostatic pressure on the local lattice structure of Ni2+ doped Zn(BF4)2·6H2O crystal. Zeitschrift für Naturforschung 64a (2009) 511-517 (SCI, JCR四区, IF= 0.94, Citation= 1) (30) Li-Xia Wang, Xiao-Yu Kuang, Hui-Fang Li, and Huai-Qian Wang, Theoretical study of local structure and ground-state splitting of Cs2NaMF6 (M= Al, Ga): Cr3+ complex molecule systems. Acta Physica Sinica 59 (2010) 6501-6507 (SCI, JCR四区, IF= 1.003, Citation= 3) (31) Hui-Fang Li, Xiao-Yu Kuang, and Huai-Qian Wang, Local structural properties of (NiF6)4- clusters in perovskite fluorides RbMF3 series: EPR and optical spectra study in tetragonal and trigonal ligand field. Chemical Physics Letters 462 (2008) 133-137 (SCI, JCR二区, IF= 2.291 Citation= 4) (32) Hui-Fang Li, Xiao-Yu Kuang, and Huai-Qian Wang, Investigations of local lattice structure and the effects of orbital reduction factor on the g factors of trigonal [Ni(H2O)6]2+ cluster in NiTiF6·6H2O and ZnSiF6·6H2O crystals at different temperatures. Zeitschriftfür Naturforschung 63a (2008) 609-615 (SCI, JCR四区, IF= 0.94, Citation= 1) (33) Hui-Fang Li, Xiao-Yu Kuang, and Huai-Qian Wang, Effect on the EPR and local lattice structure distortion of V3+ ion doping corundum crystal: Three models studies. Molecular Physics 106 (2008) 1879-1885(SCI, JCR三区, IF= 1.634, Citation= 1) (34) Yang-Mei Chen, Xiao-Yu Kuang, Xiao-Wei Sheng, Huai-Qian Wang, Peng Shao, and Min-Ming Zhong, Investigation of carbon monoxide adsorption on cationic gold-palladium clusters. Zeitschrift für Naturforschung 68a (2013) 651-658 (SCI, JCR四区, IF= 0.94) 详细的研究成果参见SCI网站链接: http://www.researcherid.com/rid/A-2222-2012 |