Atoms in molecules theory, electrostatic potential surface and frontier molecular orbital analyses on water multimers and pyridine – Water hydrogen bonded complexes
Thekkayil Sangeetha, R. Sahana, P. Mounica, A. Elangovan, R. Shanmugam, G. Arivazhagan
Topics & Concepts
ChemistryMolecular orbitalHydrogen bondMoleculeCovalent bondAtoms in moleculesNatural bond orbitalComputational chemistryPyridineElectron densityAntibonding molecular orbitalBond orderAtomic orbitalCrystallographyDensity functional theoryChemical physicsElectronBond lengthOrganic chemistryQuantum mechanicsPhysicsCrystallography and molecular interactionsFree Radicals and AntioxidantsMolecular Spectroscopy and Structure