Tuesday, September 09, 2014

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

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The Journal of Physical Chemistry C

DOI: 10.1021/jp507872d




Ping Li, Graeme Henkelman, John A. Keith and J. Karl Johnson

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