A theoretical study on coenzyme Q(10) and its reduced form. AM1 treatment

Authors
Turker, L
Citation
L. Turker, A theoretical study on coenzyme Q(10) and its reduced form. AM1 treatment, ACH-MODEL C, 137(5-6), 2000, pp. 701-710
Citations number
40
Categorie Soggetti
Chemistry
Journal title
ACH-MODELS IN CHEMISTRY
ISSN journal
12178969 → ACNP
Volume
137
Issue
5-6
Year of publication
2000
Pages
701 - 710
Database
ISI
SICI code
1217-8969(2000)137:5-6<701:ATSOCQ>2.0.ZU;2-S
Abstract
Coenzyme Q(10) (CoQ(10)) and its reduced form, ubiquinol (CoQ(10)H(2)) were subjected to semiempirical quantum chemical treatment at the level of AM1- RHF type calculations. Both of the structures are stable having negative to tal and binding energies and exothermic heats of formation. The frontier mo lecular orbital characteristics, electrostatic contour diagrams and charge distributions of these structures were presented.