CNDO–SCF–CI Calculations of the Excited Electronic States of 1,3-Butadiene

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

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

1966 • 1,906 citations

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

1965 • 1,701 citations

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

1953 • 1,620 citations

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

1967 • 1,483 citations

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

1968 • 1,273 citations

Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap

1965 • 1,074 citations

Theory of the Electronic Spectra and Structure of the Polyacenes and of Alternant Hydrocarbons

1956 • 1,052 citations

The Electronic Spectra of Aromatic Molecules II: A Theoretical Treatment of Excited States of Alternant Hydrocarbon Molecules based on Self-Consistent Molecular Orbitals

1955 • 271 citations

An application of perturbation theory ideas in configuration interaction calculations

1968 • 256 citations

Electronic States of the Amide Group

1967 • 196 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

Structure and Ultraviolet Spectra of Ethylene, Butadiene, and Their Alkyl Derivatives

1942 • 125 citations

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

1968 • 97 citations

Molecular Orbitals for Organic Systems Parametrized from ACF Model Calculations¹

1966 • 89 citations

Assignments in the Ultraviolet Spectra of Olefins

1968 • 85 citations

Convergence studies in configuration interaction calculations

1968 • 83 citations

The absorption spectra of conjugated dienes in the vacuum ultra-violet (1)

1940 • 72 citations

Electronic Excited States of Benzene and Ethylene

1967 • 53 citations

Peptides from Non-Amino Acid Sources. II. A Quantum-Chemical Study of the Isomers of Formamide

1969 • 49 citations

Non-empirical LCAO-MO-SCF-CI calculations on organic molecules with Gaussian type functions

1968 • 40 citations

The Absorption Spectra of a Series of Dienes

1942 • 34 citations

The geometry and electronic structure of substituted Schiff's bases

1969 • 31 citations

Electronic Transitions in Methyl-Substituted Ethylenes

1968 • 13 citations