Exploring preferential solvation, structure and dynamical properties or Rb+ in aqueous ammonia solution using ab initio Quantum Mechanical Charge Field (QMCF)
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DOI: 10.1016/j.molliq.2019.112027
Abstract: Abstract The QMCF simulation method has been performed to investigate the dynamics and solvation structure of Rb+ in aqueous ammonia. The LANL2DZ-ECP basis set was used for the ion and DZP (Dunning) for ligands, while… read more here.
Keywords: aqueous ammonia; solvation; ion; solvation structure ... See more keywords