Novel bonding character of the cyclic AlS2 and GaS2 systems

Authors
Song, XY Nie, Y Bu, YX
Citation
Xy. Song et al., Novel bonding character of the cyclic AlS2 and GaS2 systems, CHIN J CHEM, 19(7), 2001, pp. 637-640
Citations number
17
Categorie Soggetti
Chemistry
Journal title
CHINESE JOURNAL OF CHEMISTRY
ISSN journal
1001604X → ACNP
Volume
19
Issue
7
Year of publication
2001
Pages
637 - 640
Database
ISI
SICI code
1001-604X(200107)19:7<637:NBCOTC>2.0.ZU;2-M
Abstract
The geometries, the harmonic vibrational frequencies and the bonding proper ties have been predicted for cyclic AlS2 and GaS2 species at the density fu nctional theory (DFT), MPn (n = 2, 3, 4), QCISD(T) and CCSD(T) Levels with 6-311+G (2df) basis set. The novel bonding character was discussed.