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

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

132-COMP

引用

页数：1

共 37 条

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