Triplet states via intermediate neglect of differential overlap: Benzene, pyridine and the diazines

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

Physics, Natural Sciences, Chemical Bond +4

Atomic Shielding Constants

J. C. Slater · Physical Review · 1930 · 2.8K citations

Engineering, X-ray Levels, Magnetic Resonance +20

An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines

Joan E. Ridley, Michael C. Zerner · Theoretical Chemistry Accounts · 1973 · 2K citations

Molecular Spectroscopy, Engineering, Natural Sciences +12

Self-Consistent Field Theory for Open Shells of Electronic Systems

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

Engineering, Physics, Self-consistent Field Theory +5

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

John A. Pople, D. P. Santry, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.7K citations

Engineering, Physics, Basis Sets +11