Large-scale configuration interaction calculations on the π-electron states of benzene

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

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

1956 • 1,052 citations

On the origin of a low-lying forbidden transition in polyenes and related molecules

1972 • 483 citations

High-Resolution Study of Electron-Impact Spectra at Kinetic Energies between 33 and 100 eV and Scattering Angles to 16°

1968 • 466 citations

Rotational analysis of the 2600a absorption system of benzene

1966 • 403 citations

The iterative calculation of several of the lowest or highest eigenvalues and corresponding eigenvectors of very large symmetric matrices

1973 • 199 citations

ABSORPTION SPECTRA OF BENZENE AND BENZENE-d₆ IN THE VACUUM ULTRAVIOLET

1956 • 183 citations

Low-Energy Electron-Impact Study of the First, Second, and Third Triplet States of Benzene

1969 • 176 citations

Threshold Electron Impact Excitation of Atoms and Molecules: Detection of Triplet and Temporary Negative Ion States

1968 • 168 citations

Optical absorption of benzene vapour for photon energies from 6 eV to 35 eV

1972 • 160 citations

A new interpretation for the structure of the VN bands of ethylene

1971 • 120 citations

The theoretical description of the (ππ*) excited states of ethylene

1969 • 118 citations

Non-empirical calculations on the electronic spectrum of butadiene

1972 • 109 citations

Vacuum Ultraviolet Absorption Spectra of Cyclic Compounds. I. Cyclohexane, Cyclohexene, Cyclopentane, Cyclopentene and Benzene¹

1951 • 99 citations

Comparison of the molecular structure and spectra of benzene and borazine

1970 • 96 citations

Ab Initio SCF MO and CI Calculations on the Electronic Spectrum of Benzene

1968 • 93 citations

Multiconfiguration wavefuntions for the lowest (ππ*) excited states of ethylene

1972 • 72 citations

First allowed triplet-triplet transition in benzene

1969 • 51 citations

Absorption spectrum of triplet benzene

1966 • 50 citations

Gas phase absorption spectra and decay of triplet benzene, benzene-d6, and toluene

1970 • 45 citations

A valence state description of the ethylene V state by configuration interaction theory

1972 • 42 citations

The effect of oxygen on the 3400-Å singlet-triplet absorption of benzene

1965 • 40 citations

Giant pulse laser photolysis of benzene and mesitylene

1969 • 35 citations

Excited Electronic States of Benzene and Naphthalene

1968 • 33 citations

Assignment of two electronic states of benzene

1969 • 29 citations

Open-shell multi-configuration self-consistent-field results for the lowest energy 1(π, π*) state of planar ethylene

1973 • 26 citations

Probable location of a 1E2g state of the benzene molecule

1973 • 25 citations