Concepedia
Journal of Molecular Structure THEOCHEM · 2010 · 16 citations · 43 references
Natural SciencesChemistryPhysicsPhysical ChemistrySpectroscopic AnalysisSpectroscopyMolecular Orbital TheoryMolecular SymmetryRotational SpectroscopyGround State PropertiesMolecular Rotational ConstantsRotational Level PopulationsSigma BondsSpectroscopic Constants
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations
Natural Sciences, Chemistry, Physics +17
An efficient internally contracted multiconfiguration–reference configuration interaction method
Hans‐Joachim Werner, Peter J. Knowles · The Journal of Chemical Physics · 1988 · 3.9K citations
Natural Sciences, Chemistry, Physics +15
An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
Peter J. Knowles, Hans‐Joachim Werner · Chemical Physics Letters · 1988 · 2.9K citations
Natural Sciences, Chemistry, Computational Chemistry +3
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction
Kirk A. Peterson, David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1994 · 1.8K citations
Natural Sciences, Chemistry, Physics +14
Gaussian-3 theory using density functional geometries and zero-point energies
Anwar G. Baboul, Larry A. Curtiss, Paul C. Redfern et al. · The Journal of Chemical Physics · 1999 · 1.7K citations