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Computational evaluation on the molecular conformation, vibrational spectroscopy, NBO analysis and molecular docking of betaxolol and betaxolol-chlorthalidone cocrystals

Khloud Mohammed, Ahmed A. K. Mohammed, Ahmed Faried Abdel Hakiem, R. M. Mahfouz

2020Journal of Molecular Structure15 citationsDOI

Topics & Concepts

ChemistryBetaxololNatural bond orbitalHydrogen bondHOMO/LUMODensity functional theoryComputational chemistryMoleculeOrganic chemistryOphthalmologyMedicineTimololIntraocular pressureNonlinear Optical Materials ResearchCrystallography and molecular interactionsChemical Thermodynamics and Molecular Structure
Computational evaluation on the molecular conformation, vibrational spectroscopy, NBO analysis and molecular docking of betaxolol and betaxolol-chlorthalidone cocrystals | Litcius