Electron attraction and chemical bonding

Authors
Citation
D. Greenspan, Electron attraction and chemical bonding, COMPUT MATH, 38(11-12), 1999, pp. 217-227
Citations number
22
Categorie Soggetti
Computer Science & Engineering
Journal title
COMPUTERS & MATHEMATICS WITH APPLICATIONS
ISSN journal
08981221 → ACNP
Volume
38
Issue
11-12
Year of publication
1999
Pages
217 - 227
Database
ISI
SICI code
0898-1221(199912)38:11-12<217:EAACB>2.0.ZU;2-M
Abstract
In recent years, electron attraction, real or apparent, has been studied in various areas of science and technology. By simulating the dynamical behav ior of the molecules H-2, Li-2(7), B-2(11), Ca-2(12), N-2(14), (O2H)-H-16, Li7H, CH4, and H2O in their ground states, and H-2 in its first excited sta te, we Show that the inclusion of electron attraction in the simulation yie lds, in all cases, correct bond lengths, correct vibrational frequencies, a nd, where significant, correct bond angles, whereas excluding electron attr action never does. (C) 1999 Elsevier Science Ltd, All rights reserved.