AVERAGED ELECTRON-DENSITIES FOR AVERAGED CONFORMATIONS

Authors
Citation
Pg. Mezey, AVERAGED ELECTRON-DENSITIES FOR AVERAGED CONFORMATIONS, Journal of computational chemistry, 19(12), 1998, pp. 1337-1344
Citations number
21
Categorie Soggetti
Chemistry
ISSN journal
01928651
Volume
19
Issue
12
Year of publication
1998
Pages
1337 - 1344
Database
ISI
SICI code
0192-8651(1998)19:12<1337:AEFAC>2.0.ZU;2-9
Abstract
The concepts of averaged electron densities and averaged nuclear arran gements are discussed with reference to small nuclear distortions and an electron density transformation based on the inverse Lowdin transfo rm. (C) 1998 John Wiley & Sons, inc. J Comput Chem 19: 1337-1344, 1998 .