STUDY ON THE REACTIVITY OF RADICAL-MOLECU LAR ADDITION-REACTION USINGQUANTUM METHOD

Authors
WANG GC PAN YM ZHAO XZ
Citation
Gc. Wang et al., STUDY ON THE REACTIVITY OF RADICAL-MOLECU LAR ADDITION-REACTION USINGQUANTUM METHOD, Huaxue xuebao, 56(1), 1998, pp. 9-12
Citations number
6
Categorie Soggetti
Chemistry
Journal title
Huaxue xuebao → ACNP
ISSN journal
05677351
Volume
56
Issue
1
Year of publication
1998
Pages
9 - 12
Database
ISI
SICI code
0567-7351(1998)56:1<9:SOTROR>2.0.ZU;2-K
Abstract
In this paper, the reactivity of radical-molecular addition reaction w as studied in terms of MNDO semi-empirical method and the generalized perturbation theory. It is found that a good relationship exists betwe en the second perturbation energy and the activation energy. In additi on, the factors affecting the reaction reactivity were also discussed.