Theoretical investigation of the carbon nitrogen double bond

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

Natural Sciences, Chemistry, Physics +15

Self-Consistent Field Theory for Open Shells of Electronic Systems

Clemens Roothaan · Reviews of Modern Physics · 1960 · 2K citations

Natural Sciences, Physics, Computational Physics +12

The chemistry of the carbon-nitrogen double bond

Journal of Molecular Structure · 1972 · 786 citations

Natural Sciences, Chemistry, Inorganic Chemistry +6

Uncatalyzed syn-anti Isomerization of Imines, Oxime Ethers, and Haloimines¹

David Curtin, Edward J. Grubbs, C. Gordon McCarty · Journal of the American Chemical Society · 1966 · 192 citations

Natural Sciences, Chemistry, Medicinal Chemistry +5

Combined SCF and CI Method for the Calculation of Electronically Excited States of Molecules: Potential Curves for the Low-Lying States of Formaldehyde

Robert J. Buenker, Sigrid D. Peyerimhoff · The Journal of Chemical Physics · 1970 · 138 citations

Natural Sciences, Chemistry, Physics +17