Molecular orbital methods in organic chemistry

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

1955 • 10,259 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

Atomic Shielding Constants

1930 • 2,758 citations

Quantentheoretische Beitr�ge zum Benzolproblem

1931 • 1,868 citations

A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron Affinities

1934 • 1,729 citations

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

1965 • 1,701 citations

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

1950 • 1,204 citations

Gaussian Expansions of Atomic Orbitals

1966 • 198 citations

A Quantum Variational Calculation for HCHO

1960 • 166 citations

Molecular orbital theory of the electronic structure of organic compounds. III. Ab initio studies of charge distribution using a minimal Slater-type basis

1970 • 160 citations

Small Gaussian Expansions of Atomic Orbitals

1969 • 128 citations

Optimized Molecular Orbital Wavefunctions for Methane Constructed from a Minimum Basis Set

1967 • 119 citations

Approximate Self-Consistent Molecular-Orbital Theory. VI. INDO Calculated Equilibrium Geometries

1968 • 114 citations

Polyatomic SCF Calculations Utilizing Anisotropic Basis Sets of Slater-type Orbitals

1969 • 67 citations

Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. III. The Orbital Basis and Its Effect on Valence

1965 • 48 citations