Study of the crystal structure, H-bonding and noncovalent interactions of novel cocrystal by systematic computational search approach
B.S. Chethan, N.K. Lokanath
Topics & Concepts
CocrystalChemistryNatural bond orbitalIntramolecular forceNon-covalent interactionsIntermolecular forceHydrogen bondCrystallographyDensity functional theoryComputational chemistryCrystal structureCrystal (programming language)Chemical physicsMoleculeStereochemistryOrganic chemistryComputer scienceProgramming languageCrystallography and molecular interactionsAdvanced Chemical Physics StudiesInorganic Fluorides and Related Compounds