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Ab initio studies of lead-sulfur binary PbnSn-1+ (n=2 similar to 4) clusters
Cui, M; Feng, JK; Ge, MF; Wang, SF; Sun, JZ; Liu, JB; Gao, Z; Kong, FA
1999
Source PublicationACTA CHIMICA SINICA
ISSN0567-7351
Volume57Issue:10Pages:1062-1067
AbstractThe possible structures of PbnSn-1+(n = 2 similar to 4) clusters have been studied by using density functional theory (B3LYP) method. It shows that the most stable isomers are Pb2S+ (C-2v), Pb3S2 (+) ( C2(v)) and Pb4S3+ (C-3v),The most stable forms of the clusters. Meanwhile, the energies of the lowest unoccupied molecular orbitals (LUMO) are very low, this makes it easy for them to get an electron. II demonstrates that the corresponding neutral clusters exist stably.
KeywordLead - Sulfur Binary Clusters Geometrical Structure Electronic Structure
Indexed BySCI
Language英语
WOS IDWOS:000083515400003
PublisherACTA CHIMICA SINICA
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/75128
Collection中国科学院化学研究所
Corresponding AuthorGe, MF
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
Cui, M,Feng, JK,Ge, MF,et al. Ab initio studies of lead-sulfur binary PbnSn-1+ (n=2 similar to 4) clusters[J]. ACTA CHIMICA SINICA,1999,57(10):1062-1067.
APA Cui, M.,Feng, JK.,Ge, MF.,Wang, SF.,Sun, JZ.,...&Kong, FA.(1999).Ab initio studies of lead-sulfur binary PbnSn-1+ (n=2 similar to 4) clusters.ACTA CHIMICA SINICA,57(10),1062-1067.
MLA Cui, M,et al."Ab initio studies of lead-sulfur binary PbnSn-1+ (n=2 similar to 4) clusters".ACTA CHIMICA SINICA 57.10(1999):1062-1067.
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