The photoelectron spectra of the diazanaphthalenes

An Extended Hückel Theory. I. Hydrocarbons

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

Natural Sciences, Chemistry, Computational Chemistry +16

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

Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines

Janet E. Del Bene, H. H. Jaffé · The Journal of Chemical Physics · 1968 · 1.3K citations

Natural Sciences, Chemistry, Quantum Chemistry +16

Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening sigma bonds

Roald Hoffmann, Akira Imamura, Warren J. Hehre · Journal of the American Chemical Society · 1968 · 677 citations

Natural Sciences, Chemistry, Analytical Chemistry +14

SCFMO calculations of heteroatomic systems with the variable? approximation

Kichisuke Nishimoto, Leslie S. Forster · Theoretical Chemistry Accounts · 1966 · 258 citations

Natural Sciences, Chemistry, Physics +12