THEORETICAL-STUDIES ON THE STRUCTURE AND VIBRATIONAL-SPECTRA OF B2C3 CLUSTER

Authors
GE MF FENG JK HUANG XR YANG C SUN CC
Citation
Mf. Ge et al., THEORETICAL-STUDIES ON THE STRUCTURE AND VIBRATIONAL-SPECTRA OF B2C3 CLUSTER, Gaodeng xuexiao huaxue xuebao, 17(9), 1996, pp. 1458-1461
Citations number
17
Categorie Soggetti
Chemistry
Journal title
Gaodeng xuexiao huaxue xuebao → ACNP
ISSN journal
02510790
Volume
17
Issue
9
Year of publication
1996
Pages
1458 - 1461
Database
ISI
SICI code
0251-0790(1996)17:9<1458:TOTSAV>2.0.ZU;2-I
Abstract
The B2C3 cluster was studied by using quantum chemical ab initio metho d, Various possible structures, related vibrational spectra and bindin g energies were calculated. The electronic structure of the most stabl e configuration of the B2C3 cluster was analyzed and discussed in deta il.