AB-INITIO RESEARCH ON THE GROUND-STATE SP INS OF BICARBENES AND BINITRENES

Authors
QIU YQ ZHAO CD
Citation
Yq. Qiu et Cd. Zhao, AB-INITIO RESEARCH ON THE GROUND-STATE SP INS OF BICARBENES AND BINITRENES, Huaxue xuebao, 55(2), 1997, pp. 129-132
Citations number
9
Categorie Soggetti
Chemistry
Journal title
Huaxue xuebao → ACNP
ISSN journal
05677351
Volume
55
Issue
2
Year of publication
1997
Pages
129 - 132
Database
ISI
SICI code
0567-7351(1997)55:2<129:AROTGS>2.0.ZU;2-T
Abstract
In this paper, using quantum chemical ab initio UHF methods the ground state spins of plane bicarbenes and binitrenes have been studied. Com bined with the proceeding results, further research on magneticcouplin g rules of polyradicals has been carried out, which provides dependabl e foundation for organomagnetic molecular design.