Authors
Citation
R. Girlanda et al., ELECTRONIC-PROPERTIES OF THIENODIAZEPINE AND BENZODIAZEPINE DERIVATIVES, Nuovo cimento della Societa italiana di fisica. D, Condensed matter,atomic, molecular and chemical physics, biophysics, 17(3), 1995, pp. 267-278
Citations number
24
Categorie Soggetti
Physics
Journal title
ISSN journal
03926737
Volume
17
Issue
3
Year of publication
1995
Pages
267 - 278
Database
ISI
SICI code
0392-6737(1995)17:3<267:EOTABD>2.0.ZU;2-9
Abstract
The structural and electronic characterization of thieno [3, 4-b] [1,
4]-diazepine and 1,5-benzodiazepine systems was carried out by semi-em
pirical quantum-mechanical calculations. A number of electronic proper
ties were computed and examined in order to study the structure-activi
ty relationship. Theoretical data indicate that the electronic rather
than structural properties appear primarily responsible for the varian
t degree of anticonvulsant activity exhibited by compounds 1-4.