Molecular orbital studies of conformers and the barrier to internal rotation in 1,3-butadiene

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Gaussian basis sets for the first and second row atoms

1970 • 497 citations

Molecular orbital theory of the electronic structure of organic compounds. IV. Internal rotation in hydrocarbons using a minimal Slater-type basis

1970 • 254 citations

Thermodynamic Properties of Gaseous 1,3-Butadiene and the Normal Butenes above 25°C Equilibria in the System 1,3-Butadiene, n-Butenes, and n-Butane

1946 • 178 citations

Failure of the CNDO/2 method to predict the barriers and conformations in some conjugated systems

1971 • 116 citations

Ab Initio SCF MO and CI Studies of the Electronic States of Butadiene

1968 • 97 citations

Conjugation and non-bonded interaction

1963 • 93 citations

Analyse conformationnelle th�orique III. Etude ab initio SCF-LCAO-MO de l'inversion de l'azote dans l'Aziridine et dans l'Oxaziridine

1969 • 61 citations

Ab initio calculations on furan with a new computer program

1971 • 59 citations

Ab initio SCF and CI calculations on the barrier to internal rotation of 1,3-butadiene

1972 • 48 citations

On the internal rotation in 1,3-butadiene

1972 • 32 citations