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

Title
Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 5, Issue 4, Pages 1016-1026
Publisher
American Chemical Society (ACS)
Online
2009-03-12
DOI
10.1021/ct800549f

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