Crystal growth, structural, DFT, optical and Z-scan analyses of 4-hydroxybenzoic acid-1H-imidazole crystal

Elavarasi Chinnakannu, Mugundan Sankar, Senthilkumar Chandran, Keerthivasan Thamotharan, Srinivasan Manickam

2023Journal of Materials Science Materials in Electronics11 citationsDOI

Topics & Concepts

Crystal (programming language)Monoclinic crystal systemCrystallographyHyperpolarizabilityCrystal structureNatural bond orbitalSingle crystalHOMO/LUMOChemistryMulliken population analysisMoleculeDensity functional theoryMaterials scienceComputational chemistryOrganic chemistryPolarizabilityProgramming languageComputer scienceNonlinear Optical Materials ResearchCrystallography and molecular interactionsCrystal structures of chemical compounds