Synthesis, crystal structure, quantum calculation and Hirshfeld surface analysis of 4-bromoanilinium oxalate hemihydrate single crystal
Siddheshwar D. Raut, Mohd Ubaidullah, Shoyebmohamad F. Shaikh, Meera Moydeen Abdulhameed, Bidhan Pandit, Akshi Tyagi, Dinesh Kumar
Topics & Concepts
ChemistryIntermolecular forceHyperpolarizabilityMonoclinic crystal systemCrystallographyIntramolecular forceHydrogen bondPolarizabilityDensity functional theoryNatural bond orbitalMoleculeSingle crystalCrystal structureAtoms in moleculesLone pairCrystal (programming language)Computational chemistryStereochemistryOrganic chemistryComputer scienceProgramming languageNonlinear Optical Materials ResearchCrystallography and molecular interactionsCrystal structures of chemical compounds