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A DFT insight into structure, NBO, NCI, QTAIM, vibrational, and NLO properties of cationic amino acid ionic liquid [Pro-H]+BF4−

Harjinder Singh

2023Structural Chemistry16 citationsDOI

Topics & Concepts

ChemistryIonic liquidNatural bond orbitalHydrogen bondMonomervan der Waals forceIonic bondingDelocalized electronComputational chemistryHyperconjugationCovalent bondCrystallographyChemical physicsPhysical chemistryMoleculeIonDensity functional theoryOrganic chemistryPolymerCatalysisIonic liquids properties and applicationsConducting polymers and applicationsNonlinear Optical Materials Research
A DFT insight into structure, NBO, NCI, QTAIM, vibrational, and NLO properties of cationic amino acid ionic liquid [Pro-H]+BF4− | Litcius