Vibrational and Hirshfeld Surface Analyses, Quantum Chemical Calculations, and Molecular Docking Studies of Coumarin Derivative 3-(1-m-toluidinoethylidene)-chromane-2,4-dione and Its Corresponding Palladium(ii) Complex
Journal of Molecular Structure(2020)
关键词
FTIR,Hirshfeld,AIM and NBO,Electrostatic potential,HOMO and LUMO,Molecular docking
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