Divide-and-Conquer-Type Density-Functional Tight-Binding Molecular Dynamics Simulations of Proton Diffusion in a Bulk Water System

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Title
Divide-and-Conquer-Type Density-Functional Tight-Binding Molecular Dynamics Simulations of Proton Diffusion in a Bulk Water System
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 120, Issue 1, Pages 217-221
Publisher
American Chemical Society (ACS)
Online
2015-12-23
DOI
10.1021/acs.jpcb.5b12439

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