Electronic Structures of Unsaturated Molecules Containing Hetero-atoms, — Configuration Interaction Treatment Including Doubly Excited Configurations

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

1953 • 1,947 citations

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

1953 • 1,620 citations

Some remarks on the Pariser-Parr-Pople method

1964 • 1,007 citations

Electronic Structure and Spectra of Some Nitrogen Heterocycles

1957 • 613 citations

SCF calculations of aromatic hydrocarbons the variable ? approximation

1965 • 186 citations

Deduction of the Zero Differential Overlap Approximation from an Orthogonal Atomic Orbital Basis

1965 • 139 citations

Study of formaldehyde by a ‘self-consistent electronegativity’ molecular–orbital method

1958 • 137 citations

Dipole Moments and Near Ultraviolet Absorption of Some Monosubstituted Benzenes — The Effect of Solvents and Hydrogen Bonding

1952 • 113 citations

The Vacuum Ultraviolet Absorption Spectra of Aniline and Some of Its N-Derivatives

1964 • 112 citations

Importance of Doubly Excited Configurations in the Interpretation of Electronic Spectra

1956 • 108 citations

The valence-bond theory of molecular structure - III. Cyclo butadiene and benzene

1955 • 105 citations

Electron interaction in molecules

1967 • 78 citations

Microwave spectra of deuterated furans. Structure of the furan molecule

1955 • 74 citations

The electronic spectra of unsaturated hydrocarbons a VESCF-CI treatment

1967 • 71 citations

The effect of the choice of parameters on the order of energy levels of benzene calculated in the π-electron approximation by the configuration interaction method including double- and triple-excited configurations

1964 • 61 citations

Sigma and Pi Changes in Valence States of Pi-Electron Theory and One-Center Coulomb Repulsion Parameters

1965 • 56 citations

Variational Calculation of Ethylene

1962 • 56 citations

Complete configuration interaction calculation of singlet energy levels of benzene in ?-electron approximation

1965 • 51 citations

Self consistent field molecular orbital calculation for pyrrole

1963 • 40 citations

Pariser—Parr Calculations and Electro-Optical Effects in Benzene

1964 • 37 citations

The electronic structure of naphthalene

1964 • 24 citations

Theoretical studies in the chemistry and physics of heterocycles

1966 • 24 citations

Configuration Interaction in Molecular-Orbital Theory

1967 • 22 citations

An Improvement in the calculation of electron repulsion integrals in Pariser-Parr-Pople theory?Electron interactions in molecules

1966 • 22 citations

Semiempirical Calculation on the Lower Electronic States of the Benzene Molecule

1963 • 18 citations

Correlation Energy and the One-Center Coulomb Repulsion Integral

1963 • 11 citations

Refined Antisymmetric Molecular-Orbital Calculations of the Energy Levels of Benzene and Hexamethylbenzene

1959 • 9 citations