Approach to Partially Predetermining Molecular Electronic Structure. The Li He Interaction Potential

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

1955 • 10,259 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O

1971 • 1,791 citations

Localized Atomic and Molecular Orbitals

1963 • 1,526 citations

The density matrix in many-electron quantum mechanics I. Generalized product functions. Factorization and physical interpretation of the density matrices

1959 • 389 citations

Orthogonalization Procedures and the Localization of Wannier Functions

1957 • 253 citations

On the Pi-Electron Approximation and Its Possible Refinement

1956 • 216 citations

Interaction Energy Curves of LiHe and NaHe (X 2Σ+, A 2Π, B 2Σ+) and X 1Σ+ Ions

1971 • 144 citations

A quantum-mechanical study of the water molecule

1960 • 110 citations

Localized Bonds in SCF Wavefunctions for Polyatomic Molecules. I. Diborane

1969 • 67 citations

Localized Orbitals for Polyatomic Molecules. I. The Transferability of the C–H Bond in Saturated Molecules

1969 • 59 citations

Localized Bonds in SCF Wavefunctions for Polyatomic Molecules. IV. Ethylene, Butadiene, and Benzene

1971 • 42 citations

A Theory of Molecules in Molecules. I

1971 • 40 citations

Bond moments in the two-carbon series ethane, ethylene, and acetylene

1969 • 37 citations

Molecular-Orbital Theory for Infinite Systems: Self-Consistent Field Perturbation Treatment of Hydrogen-Bonded Molecules

1971 • 28 citations

Transferability of atomic Hartree-Fock valence-shell orbitals and chemical periodicity

1970 • 21 citations