Cu2+ in liquid ammonia - The impact of solvent flexibility and electron correlation in ab initio quantum mechanical charge field molecular dynamics
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DOI: 10.1002/jcc.26379
Abstract: The impact of solvent flexibility and electron correlation on the simulation results of Cu2+ in liquid ammonia has been investigated via an ab initio quantum mechanical charge field molecular dynamics (QMCF MD) simulation approach. To… read more here.
Keywords: electron correlation; impact solvent; solvent flexibility; flexibility electron ... See more keywords