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
Dejan Milenković, Edina Avdović, Dušan Dimić, S. Sudha, D. Ramarajan, Žiko Milanović, Srećko R. Trifunović, Zoran Marković
Topics & Concepts
ChemistryNatural bond orbitalIntramolecular forceIntermolecular forcePalladiumMoleculeHOMO/LUMOComputational chemistryAtoms in moleculesElectronic structureDocking (animal)Crystal structureCrystallographyStereochemistryDensity functional theoryOrganic chemistryCatalysisMedicineNursingNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesSynthesis and biological activity