Authors
Citation
J. Demaison et al., AB-INITIO BOND LENGTHS, Journal de chimie physique et de physico-chimie biologique, 95(8), 1998, pp. 1804-1817
Citations number
44
Categorie Soggetti
Biology,"Chemistry Physical
Journal title
Volume
95
Issue
8
Year of publication
1998
Pages
1804 - 1817
Database
ISI
SICI code
Abstract
Ab initio calculations give the equilibrium structure with an accuracy
which depends on the sophistication of the model, but which may be as
good as the best experimental accuracy, at least in some favourable c
ases. We discuss in this paper under which conditions it is possible t
o obtain such an accurate ab initio structure.