The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study

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Authors: Valerio Rizzi, Daniela Polino, Emilia Sicilia, Nino Russo, Michele Parrinello

Journal title: Angewandte Chemie International Edition

Journal number: 58/12

Journal publisher: John Wiley & Sons Ltd.

Published year: 2019

Published pages: 3976-3980

DOI identifier: 10.1002/anie.201900134

ISSN: 1433-7851