Experimental and theoretical studies of a thiourea derivative: 1-(4-chloro-benzoyl)-3-(2-trifluoromethyl-phenyl)thiourea
Aynur Alizada, Hakan Arslan
Topics & Concepts
ChemistryHyperpolarizabilityDensity functional theoryMolecular orbitalPolarizabilityBasis setNatural bond orbitalCrystallographyTrifluoromethylHOMO/LUMOCrystal structureComputational chemistryCrystal (programming language)Physical chemistryMoleculeOrganic chemistryProgramming languageComputer scienceAlkylNonlinear Optical Materials ResearchSynthesis and biological activityStructural and Chemical Analysis of Organic and Inorganic Compounds