Synthesis, experimental and computational study of a non-centrosymmetric material 3-methylbenzylammonium trioxonitrate
Sofian Gatfaoui, Noureddine Issaoui, Thierry Roisnel, Houda Marouani
Topics & Concepts
ChemistryMonoclinic crystal systemIntermolecular forceHydrogen bondCrystallographyMoleculeDensity functional theoryCrystal structureInfrared spectroscopyCrystal (programming language)HOMO/LUMOSingle crystalNatural bond orbitalComputational chemistryOrganic chemistryProgramming languageComputer scienceNonlinear Optical Materials ResearchCrystallography and molecular interactionsCrystal structures of chemical compounds