A comparative ab initio study of ethylene, acetylene and benzene

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

The strengths of chemical bonds

1958 • 1,007 citations

Quantum theory of molecules and solids

1964 • 927 citations

Gaussian basis sets for the first and second row atoms

1970 • 497 citations

Polarization functions for first and second row atoms in Gaussian type MO-SCF calculations

1970 • 377 citations

Localized and Delocalized 1s Hole States of the O 2 + Molecular Ion

1972 • 328 citations

Interpretation of photoelectron spectra of hydrocarbons using semi-empirical SCF MO calculations

1972 • 103 citations

The strengths of chemical bonds

1955 • 94 citations

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

1968 • 93 citations

Study of the Electronic Structure of Molecules. XVII. Analysis of the Formation of the Acetylene, Ethylene, and Ethane Molecules in the Hartree-Fock Model

1972 • 83 citations

A modification of INDO for interpretation of photoelectron spectra

1972 • 78 citations

Theoretical Analysis of the Effects of Hydrogenation in Hydrocarbons: Accurate SCF MO Wavefunctions for C2H2, C2H4, and C2H6

1967 • 70 citations

Ab initio calculations on furan with a new computer program

1971 • 59 citations

Benzene and Its Ionized States

1967 • 59 citations

An optimized minimal contracted-gaussian basis set for organic PI-systems

1971 • 31 citations

Ab initio calculations on ethylene and fluoroethylene. A comparative study

1971 • 17 citations