Crystal growth and vibrational spectroscopic studies on the novel NLO active 2-amino-4-methylpyridinium fluoroborate single crystal by experimental and computational technique
N.F. Femi Frederic, D. Arul Dhas, I. Hubert Joe, G. Vinitha
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMOSingle crystalCrystal (programming language)MoleculeIntermolecular forceDensity functional theoryCrystallographyBasis setMolecular orbitalRaman spectroscopyCrystal structureAnalytical Chemistry (journal)Computational chemistryOpticsOrganic chemistryProgramming languageComputer sciencePhysicsNonlinear Optical Materials ResearchCrystal structures of chemical compoundsCrystallography and molecular interactions