Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane

An Extended Hückel Theory. I. Hydrocarbons

Roald Hoffmann · The Journal of Chemical Physics · 1963 · 4.6K citations

Natural Sciences, Chemistry, Computational Chemistry +16

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

Robert S. Mulliken · The Journal of Chemical Physics · 1955 · 2K citations

Natural Sciences, Chemistry, Physics +12

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

John A. Pople, Gerald A. Segal · The Journal of Chemical Physics · 1966 · 1.9K citations

Natural Sciences, Chemistry, Physics +15

The Spectra and Electronic Structure of the Tetrahedral Ions MnO4−, CrO4−−, and ClO4−

Max Wolfsberg, Lindsay Helmholz · The Journal of Chemical Physics · 1952 · 1.5K citations

Natural Sciences, Chemistry, Physics +17

Stereochemistry of Electrocyclic Reactions

R. B. Woodward, Roald Hoffmann · Journal of the American Chemical Society · 1965 · 1.4K citations

Natural Sciences, Chemistry, Analytical Chemistry +6