Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis
А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov, Noureddine Issaoui, Ahmad Absanov
Topics & Concepts
Natural bond orbitalChemistryIntermolecular forceIntramolecular forceMoleculeBasis setMulliken population analysisComputational chemistryRaman spectroscopyHydrogen bondHOMO/LUMOFourier transform infrared spectroscopyEthanolPhysical chemistryStereochemistryOrganic chemistryOpticsQuantum mechanicsPhysicsNonlinear Optical Materials ResearchMolecular spectroscopy and chiralityThermodynamic properties of mixtures