Recent theoretical studies of the hydrogen bond

An Extended Hückel Theory. I. Hydrocarbons

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

Natural Sciences, Chemistry, Computational Chemistry +16

Electron interaction in unsaturated hydrocarbons

J. A. Pople · Transactions of the Faraday Society · 1953 · 2.1K citations

Natural Sciences, Chemistry, Physics +10

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.

Rudolph Pariser, Robert G. Parr · The Journal of Chemical Physics · 1953 · 2K citations

Natural Sciences, Chemistry, Physics +17

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

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

Natural Sciences, Chemistry, Physics +13