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Ab initio study of silver sulfur binary [Ag center dot (Ag2S)(n)](+)(n=1,2) clusters
Cui, M; Feng, JK; Ge, MF; Wang, SF; Sun, CC
1999-03-01
Source PublicationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN0251-0790
Volume20Issue:3Pages:436-439
AbstractThe possible geometrical structures of [Ag .(Ag2S)(n)](+)(n=1,2) cluster were optimized by using the methods of ab initio Molecular Orbital Restrict Hatree-Fock(RHF) and Density Function Theory(DFT). The corresponding stable geometries and electronic structures were obtained. That the two clusters can act as the deep trap of free electron of sulfur sensitive center was also explained.
KeywordSilver Sulfur Binary Cluster Geometry Structure Electronic Structure
Indexed BySCI
Language英语
WOS IDWOS:000081285900027
PublisherHIGHER EDUCATION PRESS
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/75116
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, State Key Lab Mol React Dynam, Inst Chem, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Cui, M,Feng, JK,Ge, MF,et al. Ab initio study of silver sulfur binary [Ag center dot (Ag2S)(n)](+)(n=1,2) clusters[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,1999,20(3):436-439.
APA Cui, M,Feng, JK,Ge, MF,Wang, SF,&Sun, CC.(1999).Ab initio study of silver sulfur binary [Ag center dot (Ag2S)(n)](+)(n=1,2) clusters.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,20(3),436-439.
MLA Cui, M,et al."Ab initio study of silver sulfur binary [Ag center dot (Ag2S)(n)](+)(n=1,2) clusters".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 20.3(1999):436-439.
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