Concepedia
Journal of Molecular Structure THEOCHEM · 2000 · 726 citations · 11 references
EngineeringPhysical ChemistryKinetics (Physics)Computational ChemistryThermodynamicsChemistryChemical ContentMolecular KineticsChemical Kinetics
11
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1993 · 9.4K citations
Engineering, Gaussian Basis Sets, Computational Chemistry +19
A simple measure of electron localization in atomic and molecular systems
Axel D. Becke, Kenneth E. Edgecombe · The Journal of Chemical Physics · 1990 · 6.8K citations
Atoms in Molecules — a Quantum Theory
W.J. Orville-Thomas · Journal of Molecular Structure THEOCHEM · 1996 · 2.9K citations
Physics, Natural Sciences, Quantum Mechanical Property +4
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern et al. · The Journal of Chemical Physics · 1997 · 2.1K citations
Engineering, Theoretical Inorganic Chemistry, Computational Chemistry +20
Stereochemistry of Electrocyclic Reactions
R. B. Woodward, Roald Hoffmann · Journal of the American Chemical Society · 1965 · 1.4K citations
B. Woodward, Engineering, Organic Electrochemistry +13