Dehydrogenation Free Energy of Co2+(aq) from Density Functional Theory-Based Molecular Dynamics
نویسندگان
چکیده
منابع مشابه
Redox potentials and acidity constants from density functional theory based molecular dynamics.
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2017
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.6b01077