AM1 treatment of phenolsulfonephthalein

Authors
Turker, L
Citation
L. Turker, AM1 treatment of phenolsulfonephthalein, ACH-MODEL C, 137(5-6), 2000, pp. 643-652
Citations number
20
Categorie Soggetti
Chemistry
Journal title
ACH-MODELS IN CHEMISTRY
ISSN journal
12178969 → ACNP
Volume
137
Issue
5-6
Year of publication
2000
Pages
643 - 652
Database
ISI
SICI code
1217-8969(2000)137:5-6<643:ATOP>2.0.ZU;2-W
Abstract
Different forms of phenolsulfonephthalein (phenol red) were subjected to se miempirical molecular orbital treatment at the level of AM1-RHF type calcul ations. All the forms considered were found to be stable and exogenic. Howe ver. most of the molecular orbital characteristics of these structures are highly different from each other.