• 中文
    • English
  • English 
    • 中文
    • English
  • Login
View Item 
  •   DSpace Home
  • 化学化工学院
  • 化学化工-已发表论文
  • View Item
  •   DSpace Home
  • 化学化工学院
  • 化学化工-已发表论文
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

A density functional study for the isomers of cationic sulfur clusters

Thumbnail
Full Text
A density functional study for the isomers of cationic sulfur clusters.htm (413bytes)
Date
2001-12-07
Author
Chen, MD
Liu, ML
Liu, JW
Zhang, QE
张乾二
Au, CT
Collections
  • 化学化工-已发表论文 [14469]
Show full item record
Abstract
The cations of sulfur clusters exhibit intensities of significance on the mass spectra of sulfur clusters generated in direct laser vaporization. We have acquired numerous isomers of cationic sulfur clusters by means of the B3LYP DFT method. According to total energies, the most stable S-n(-) (n = 3-13) isomers are predicted. Many cationic clusters are composed of two-fold atoms; those with one-fold and three-fold atoms are higher in total energy. The most stable isomer of some cationic clusters shows a structure completely different from that of the corresponding neutral cluster, (C) 2002 Elsevier Science B.V. All rights reserved.
Citation
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM,2002,582:205-212
URI
http://dx.doi.org/10.1016/S0166-1280(01)00783-7
https://dspace.xmu.edu.cn/handle/2288/12428

copyright © 2002-2016  Duraspace  Theme by @mire  厦门大学图书馆  
About | Policies
 

 

Browse

All of DSpaceCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

My Account

LoginRegister

copyright © 2002-2016  Duraspace  Theme by @mire  厦门大学图书馆  
About | Policies