Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3)

	Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3)
	Wang, SF; Feng, JK; Cui, M; Sun, CC; Gao, Z; Kong, FA
刊名	chemical journal of chinese universities-chinese
	1999-12-01
卷号	20 期号:12 页码:1931-1935
关键词	Cobalt-Sulfide cluster geometrical structure electronic structure
英文摘要	the possible geometrical structures of co2s+, co3s2+ 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 most stable geometrical structure for co2s+ and co3s2+ are found to be c,symmetry respectively, the electronic structures and vibrational spectrum of the most stable geometrical structures of co2s+, co3s2+ are analyzed by the same method. as the result, the calculation can be used for explaining the mechanism of bond forming for the cobalt-sulfur cluster.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, multidisciplinary
研究领域[WOS]	chemistry
关键词[WOS]	ions ; hydrodesulfurization ; photodissociation ; photolysis ; catalysts
收录类别	SCI
语种	英语
WOS记录号	WOS:000084320500024
公开日期	2015-11-10
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/138620]
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	Chinese Acad Sci, State Key Lab Mol React Dynam, Inst Chem, 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 Cobalt-Sulfide clusters ConSn-1+ (n=2,3)[J]. chemical journal of chinese universities-chinese,1999,20(12):1931-1935.
APA	Wang, SF,Feng, JK,Cui, M,Sun, CC,Gao, Z,&Kong, FA.(1999).Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3).chemical journal of chinese universities-chinese,20(12),1931-1935.
MLA	Wang, SF,et al."Geometry and stability of Cobalt-Sulfide clusters ConSn-1+ (n=2,3)".chemical journal of chinese universities-chinese 20.12(1999):1931-1935.