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Density Functional Theory and Car–Parrinello Molecular Dynamics Study of the Hydrogen-Producing Mechanism of the Co(dmgBF 2 ) 2 and Co(dmgH) 2 Cobaloxime Complexes in Acetonitrile–Water Solvent
Chen, Jinfan, Sit, Patrick H.-L.Volume:
121
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.7b00163
Date:
May, 2017
File:
PDF, 2.29 MB
english, 2017