The Jahn-Teller effect in mixed aqueous solution: the solvation of Cu2+ in 18.6% aqueous ammonia obtained from ab initio quantum mechanical charge field molecular dynamics
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DOI: 10.1515/pac-2018-1115
Abstract: Abstract The solvation structure and dynamics of Cu2+ in 18.6 % aqueous ammonia have been investigated using an ab initio quantum mechanical charge field molecular dynamics (QMCF MD) simulation approach at the Hartree–Fock (HF) level of… read more here.
Keywords: quantum mechanical; solvation; initio quantum; cu2 aqueous ... See more keywords