A comparative study of B3LYP, X3LYP, and M06-class density functionals for predicting binding energies of neutral, protonated, and deprotonated water clusters

被引：0
|
作者：
Bryantsev, Vyacheslav S.
Diallo, Mamadou [1 ,2 ]
Goddard, W. A., III [3 ]
机构：
[1] CALTECH, Mat & Proc Simulat Ctr, Beckman Inst, Pasadena, CA 91125 USA
[2] Howard Univ, Dept Civil Engn, Pasadena, CA 91125 USA
[3] CALTECH, Mat & Proc Simulat Ctr, Beckman Inst 139 74, Pasadena, CA 91125 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2009年 / 237卷
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
132-COMP
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页数：1
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