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Computational study of the intermolecular interactions and their effect on the UV-visible spectra of the ternary liquid mixture of benzene, ethanol and propylene glycol

Hema Hema, Tara Bhatt, T.C. Pant, Charu Ch. Dhondiyal, Meenakshi Rana, Papia Chowdhury, G. C. Joshi, Pratibha Arya, Himani Tiwari

2020Journal of Molecular Modeling26 citationsDOI

Topics & Concepts

Ternary operationTime-dependent density functional theoryIntermolecular forceDensity functional theoryChemistryHOMO/LUMOInteraction energyPhysical chemistryMolecular orbitalDimerAbsorption spectroscopyBlueshiftComputational chemistryMoleculeMaterials scienceOrganic chemistryPhotoluminescencePhysicsOptoelectronicsProgramming languageQuantum mechanicsComputer sciencePhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical StudiesThermodynamic properties of mixtures
Computational study of the intermolecular interactions and their effect on the UV-visible spectra of the ternary liquid mixture of benzene, ethanol and propylene glycol | Litcius