Water dimer isomers: interaction energies and electronic structure
S. Ghosh, Bhaswati Debnath, Atish Dipankar Jana
Topics & Concepts
DimerWater dimerPlanarMoleculeDensity functional theoryChemistryRing (chemistry)Covalent bondInteraction energyCrystallographyElectronic structureComputational chemistryChemical physicsMolecular physicsHydrogen bondOrganic chemistryComputer graphics (images)Computer scienceAdvanced Chemical Physics StudiesCrystallography and molecular interactionsSpectroscopy and Quantum Chemical Studies