Effect of Ligand-Field Terms in Approximate Molecular-Orbital Calculations on Metal Complexes

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

1955 • 10,259 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

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

1965 • 1,701 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

The Spectra and Electronic Structure of the Tetrahedral Ions MnO4−, CrO4−−, and ClO4−

1952 • 1,468 citations

Approximate Radial Functions for First-Row Transition-Metal Atoms and Ions. I. Inner-Shell, 3d and 4s Atomic Orbitals

1962 • 492 citations

Molecular Orbital Theory for Octahedral and Tetrahedral Metal Complexes

1966 • 257 citations

The Electronic Structure of Permanganate Ion

1964 • 191 citations

Influence of madelung (interatomic Coulomb) energy on Wolfsberg–Helmholz calculations

1967 • 83 citations

A Method for Molecular Orbital Calculations for Metal Complexes

1966 • 80 citations

The spectra and electronic structure of tetrahedral ions

1966 • 71 citations

Semiempirical Molecular Orbital Theory. I. Permanganate and Related Anions

1964 • 66 citations

Simplified SCF Method for σ-Bonded Systems. I. Physical Properties of Hydrogen Halides

1964 • 53 citations

CORRELATION OF NUCLEAR QUADRUPOLE COUPLING CONSTANTS WITH MOLECULAR ELECTRONIC STRUCTURE USING MOLECULAR ORBITAL THEORY

1966 • 52 citations

Extended Hueckel calculations of the molecular orbitals in bis(.beta.-ketoenolate) complexes of copper(II) and nickel(II)

1967 • 51 citations

Towards an adequate molecular orbital interpretation of the ultraviolet spectrum of the permanganate ion

1967 • 25 citations

A molecular orbital method for inorganic molecules: application to transition metal oxides

1967 • 23 citations