Elucidation of Aqueous Solvent-Mediated Hydrogen-Transfer Reactions by ab Initio Molecular Dynamics and Nudged Elastic-Band Studies of NaBH4 Hydrolysis

Published 2014 View Full Article

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Title
Elucidation of Aqueous Solvent-Mediated Hydrogen-Transfer Reactions by ab Initio Molecular Dynamics and Nudged Elastic-Band Studies of NaBH4 Hydrolysis
Authors
Keywords
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Journal
Journal of Physical Chemistry C
Volume 118, Issue 37, Pages 21385-21399
Publisher
American Chemical Society (ACS)
Online
2014-09-27
DOI
10.1021/jp507872d

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