Li+-ligand binding energies and the effect of ligand fluorination on the binding energies.
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DOI: 10.1016/j.cplett.2018.01.047
Abstract: The Li+-ligand binding energies are computed for seven ligands and their perfluoro analogs using Density Functional Theory. The bonding is mostly electrostatic in origin. Thus the size of the binding energy tends to correlate with… read more here.
Keywords: fluorination binding; ligand fluorination; effect ligand; ligand binding ... See more keywords