Investigation of hydrogen bonding in small nucleobases using DFT, AIM, NCI and NBO technique
Pradyumna Mazumdar, Angarag Kashyap, Diganta Choudhury
Topics & Concepts
Natural bond orbitalChemistryNucleobaseThymineHydrogen bondAtoms in moleculesComputational chemistryCovalent bondMoleculeInteraction energyCrystallographyDensity functional theoryOrganic chemistryDNABiochemistryNonlinear Optical Materials ResearchCrystallography and molecular interactionsDNA and Nucleic Acid Chemistry