A theoretical study on coenzyme Q10 and its reduced form.: AM1 treatment

被引：0
|
作者：
Türker, L [1 ]
机构：
[1] Middle E Tech Univ, Dept Chem, TR-06531 Ankara, Turkey
来源：
ACH-MODELS IN CHEMISTRY | 2000年 / 137卷 / 5-6期
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D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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 total and binding energies and exothermic heats of formation. The frontier molecular orbital characteristics, electrostatic contour diagrams and charge distributions of these structures were presented.
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页码：701 / 710
页数：10
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