Water Interactions with Nanoporous Silica: Comparison of ReaxFF and ab Initio based Molecular Dynamics Simulations

Published 2016 View Full Article

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Title
Water Interactions with Nanoporous Silica: Comparison of ReaxFF and ab Initio based Molecular Dynamics Simulations
Authors
Keywords
-
Journal
Journal of Physical Chemistry C
Volume 120, Issue 43, Pages 24803-24816
Publisher
American Chemical Society (ACS)
Online
2016-10-04
DOI
10.1021/acs.jpcc.6b07939

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