Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters

标题
Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 5, Issue 4, Pages 1016-1026
出版商
American Chemical Society (ACS)
发表日期
2009-03-12
DOI
10.1021/ct800549f

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