Citation
Am. Lee et Nc. Handy, DISSOCIATION OF HYDROGEN AND NITROGEN MOLECULES STUDIED USING DENSITY-FUNCTIONAL THEORY, Journal of the Chemical Society. Faraday transactions, 89(22), 1993, pp. 3999-4003
Citations number
25
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
09565000
Volume
89
Issue
22
Year of publication
1993
Pages
3999 - 4003
Database
ISI
SICI code
0956-5000(1993)89:22<3999:DOHANM>2.0.ZU;2-6
Abstract
As density functional theory becomes a serious method for computationa
l chemists, it is important to understand how elementary problems are
treated. We examine the potential-energy curves for the dissociation o
f the hydrogen and nitrogen molecules.