An APT charge based descriptor for atomic level description of chemical Raman enhancement by adsorption of 4-Mercaptopyridine on semiconducting nanaoclusters: A theoretical study
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DOI: 10.1016/j.vibspec.2020.103019
Abstract: Abstract Density functional theory (DFT) based calculations are carried out to study effect of molecular charge on both the binding energy as well as chemical Raman enhancement of deprotonated 4-Mercaptopyridine (ligand) bound to the semiconducting… read more here.
Keywords: based descriptor; charge based; raman; charge ... See more keywords