Chemical Physics Letters · 2008 · 27 citations · 42 references
Natural SciencesChemistryComputational ChemistryCrystal StructureInorganic ChemistryCoordination ChemistryForce FieldsLigand BindingMetal-ligand BondingMolecular DynamicsMolecular ModelingCopper ChemistryCopper(ii) RecognitionEmpirical Force FieldsForce Field OptimizationMetal InteractionsQuantum Chemical DescriptorsQuantum Chemical Modeling
42
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
Development and testing of a general amber force field
Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations