DICP OpenIR
Quantum chemical study of structures and vibrational spectra on silicon-sulfur Clusters(SiS2)(n)(-) (n=1-5)
Wang, SF; Feng, JK; Liu, JJ; Sun, CC; Liu, P; Gao, Z; Kong, FA
KeywordSilicon-sulfur Clusters Geometry Electronic Structure Vibrational Spectrum
Source PublicationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
2000-08-01
Volume21Issue:8Pages:1273-1277
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Multidisciplinary
WOS Research AreaChemistry
WOS KeywordAB-INITIO ; CLUSTERS ; STABILITIES
AbstractThe initial geometrical structures and relative stability of silicon-sulfur clusters(SiS2)(n)(-) (n=1-5) are explored by means of density functional theory(DFT) quantum chemical calculations. The effects of polarization functions, diffuse functions and electron correlation are included in those calculations. The electronic structures and vibrational spectra of the most stable geometrical structures of (SiS2)(n)(-) are analyzed by the same method. As the result, the regularity of the (SiS2)(n)(-) clusters growing is obtained, and the calculated results can be used to predict the formation mechanism of the (SiS2)(n)(-) clusters.
Language英语
WOS IDWOS:000088950300029
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/138800
Collection中国科学院大连化学物理研究所
Affiliation1.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
Recommended Citation
GB/T 7714
Wang, SF,Feng, JK,Liu, JJ,et al. Quantum chemical study of structures and vibrational spectra on silicon-sulfur Clusters(SiS2)(n)(-) (n=1-5)[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2000,21(8):1273-1277.
APA Wang, SF.,Feng, JK.,Liu, JJ.,Sun, CC.,Liu, P.,...&Kong, FA.(2000).Quantum chemical study of structures and vibrational spectra on silicon-sulfur Clusters(SiS2)(n)(-) (n=1-5).CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,21(8),1273-1277.
MLA Wang, SF,et al."Quantum chemical study of structures and vibrational spectra on silicon-sulfur Clusters(SiS2)(n)(-) (n=1-5)".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 21.8(2000):1273-1277.
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