Journal of Molecular Structure THEOCHEM · 2003 · 63 citations · 31 references
Natural SciencesChemistryPhysicsComputational ChemistryMolecular PhysicsQuantum ChemistryAb Initio MethodsChemical BondingDensity Functional TheoryIntermolecular InteractionsMolecular BondingMolecular Orbital TheoryHydrogen Bond EnergeticsHydrogen BondingHydrogen Bonding ModelsHydrogen-bonded MaterialsHydrogen-bonded NetworksResonance Interactions
31
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Ab initio molecular orbital theory
Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations
Ab initio molecular orbital theory
Journal of Molecular Structure THEOCHEM · 1987 · 4.5K citations