VISUALIZATION OF REGIONAL PROPERTIES OF HARDNESS AND SOFTNESS IN MOLECULES

Authors
BOGEL H HANSEN S LAUBE U
Citation
H. Bogel et al., VISUALIZATION OF REGIONAL PROPERTIES OF HARDNESS AND SOFTNESS IN MOLECULES, Journal of chemical information and computer sciences, 37(2), 1997, pp. 316-319
Citations number
9
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
37
Issue
2
Year of publication
1997
Pages
316 - 319
Database
ISI
SICI code
0095-2338(1997)37:2<316:VORPOH>2.0.ZU;2-H
Abstract
The local atomic quantities of hardness and softness are generated fro m semiempirical and ab initio MO calculations and can be displayed in different rendering modes such as Connolly surfaces, ball-and-stick mo dels of CPK models.