Exploration of the Dehydrogenation Pathways of Ammonia Diborane and Diammoniate of Diborane by Molecular Dynamics Simulations Using Reactive Force Fields

Title
Exploration of the Dehydrogenation Pathways of Ammonia Diborane and Diammoniate of Diborane by Molecular Dynamics Simulations Using Reactive Force Fields
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 124, Issue 9, Pages 1698-1704
Publisher
American Chemical Society (ACS)
Online
2020-02-12
DOI
10.1021/acs.jpca.9b10441

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