Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+

	Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+
	Wang, SF ; Feng, JK ; Cui, M ; Ge, MF ; Sun, CC ; Gao, Z ; Kong, FA
刊名	chemical journal of chinese universities-chinese
	1999-09-01
卷号	20 期号:9 页码:1447-1451
关键词	vanadium-sulfide cluster geometry electronic structure
英文摘要	the possible geometrical structures of v2s2+, v3s4+ clusters were optimized using the methods of ab initio molecular orbital unrestricted or restricted hartree-fock (uhf, rhf) and density function theory (dft). the corresponding stable geometries and electronic structures were obtained. the calculation may be used to explain the relative experimental results.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, multidisciplinary
研究领域[WOS]	chemistry
关键词[WOS]	effective core potentials ; molecular calculations ; ions ; photolysis
收录类别	SCI
语种	英语
WOS记录号	WOS:000082562400029
公开日期	2015-11-10
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/138582]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China 2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Wang, SF,Feng, JK,Cui, M,et al. Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+[J]. chemical journal of chinese universities-chinese,1999,20(9):1447-1451.
APA	Wang, SF.,Feng, JK.,Cui, M.,Ge, MF.,Sun, CC.,...&Kong, FA.(1999).Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+.chemical journal of chinese universities-chinese,20(9),1447-1451.
MLA	Wang, SF,et al."Geometry and stability of vanadium-sulfide clusters V2S2+ and V3S4+".chemical journal of chinese universities-chinese 20.9(1999):1447-1451.