ICCAS OpenIR
Quantum chemical study of silicon-sulfur clusters(SiS2)(n)(+)(n=1-3)
Wang, SF; Feng, JK; Cui, M; Sun, CC; Liu, P; Gao, Z; Kong, FA
2000-02-01
Source PublicationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN0251-0790
Volume21Issue:2Pages:255-259
AbstractThe possible geometrical structures and relative stability of silicon-sulfur clusters (SiS2)(n)(+) (n = 1-3) are explored by means of density functional theory (DFT) quantum chemical calculations. The effects of polarization functions and electron correlation are included in these calculations. The electronic structure and vibrational spectrum of the most stable geometrical structure of (SiS2)(n)(+) are analyzed by the same method, As the result, the regularity of the (SiS2)(n)(+) cluster growing is obtained, and the calculation can be used to predict the mechanism of the (SiS2)(n)(+) cluster forming.
KeywordSilicon-sulfur Clusters Geometry Electronic Structure Vibrational Spectrum
Indexed BySCI
Language英语
WOS IDWOS:000085504000025
PublisherHIGHER EDUCATION PRESS
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/76168
Collection中国科学院化学研究所
Corresponding AuthorFeng, JK
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,Cui, M,et al. Quantum chemical study of silicon-sulfur clusters(SiS2)(n)(+)(n=1-3)[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2000,21(2):255-259.
APA Wang, SF.,Feng, JK.,Cui, M.,Sun, CC.,Liu, P.,...&Kong, FA.(2000).Quantum chemical study of silicon-sulfur clusters(SiS2)(n)(+)(n=1-3).CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,21(2),255-259.
MLA Wang, SF,et al."Quantum chemical study of silicon-sulfur clusters(SiS2)(n)(+)(n=1-3)".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 21.2(2000):255-259.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Wang, SF]'s Articles
[Feng, JK]'s Articles
[Cui, M]'s Articles
Baidu academic
Similar articles in Baidu academic
[Wang, SF]'s Articles
[Feng, JK]'s Articles
[Cui, M]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Wang, SF]'s Articles
[Feng, JK]'s Articles
[Cui, M]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.