Hybrid Quantum Mechanics/Molecular Mechanics Solvation Scheme for Computing Free Energies of Reactions at Metal–Water Interfaces

Published 2014 View Full Article

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Title
Hybrid Quantum Mechanics/Molecular Mechanics Solvation Scheme for Computing Free Energies of Reactions at Metal–Water Interfaces
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 10, Issue 8, Pages 3354-3368
Publisher
American Chemical Society (ACS)
Online
2014-05-29
DOI
10.1021/ct500211w

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