Journal of Molecular Structure THEOCHEM · 1998 · 117 citations · 21 references
Natural SciencesChemistryPhysicsComputational ChemistryComputational Structural AnalysisOrganic ChemistryAb Initio MethodsConformational AnalysisMolecular DynamicsMolecular ModelingMolecular SymmetrySide-chain PackingAmino Acid AnaloguesAmino Acid DerivativesAmino Acid StabilityComputational Prediction Of Amino Acid ConformationMolecular Modeling Of Amino Acid Conformations
21
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
F. Albert Cotton, Geoffrey Wilkinson, Paul L. Gaus · Journal of Molecular Structure · 1978 · 2K citations · Full text