Growth, structural, vibrational, characterization and DFT investigations of 2-methylimidazolium hydrogen oxalate dihydrate (2MIO) single crystal-towards third order NLO applications
A. Steephenraj, Chinnasami Sıdden, Rajesh Paulraj, S. Sahaya Jude Dhas
Topics & Concepts
ChemistryHyperpolarizabilityNatural bond orbitalDensity functional theoryIntermolecular forceSingle crystalMoleculeHydrogen bondCrystal (programming language)CrystallographyLattice energyCrystal structureBond lengthHOMO/LUMOPhysical chemistryAnalytical Chemistry (journal)Computational chemistryPolarizabilityOrganic chemistryComputer scienceProgramming languageNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds