Synthesis, crystal structure, hirshfeld surface analysis, spectral and quantum chemical studies of pharmaceutical cocrystals of a bronchodilator drug (Theophylline)
L. Mary Novena, S. Athimoolam, R. Anitha, S. Asath Bahadur
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryHydrogen bondCrystallographyCrystal structureIntermolecular forceDimerMulliken population analysisHOMO/LUMOComputational chemistryMolecular orbitalMoleculeOrganic chemistryCrystallography and molecular interactionsNonlinear Optical Materials ResearchCrystallization and Solubility Studies