On the theoretical foundation of Walsh's rules of molecular geometry in terms of the Hellmann–Feynman theorem

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

Quantum theory of atoms, molecules, and the solid state

1966 • 1,064 citations

Quantum theory of molecules and solids

1964 • 927 citations

Molecular Orbitals in Chemistry Physics and Biology

1965 • 774 citations

Molecular Charge Distributions and Chemical Binding

1967 • 485 citations

Binding Regions in Diatomic Molecules

1951 • 285 citations

Electronic Structures and Spectra of Triatomic Oxide Molecules

1942 • 224 citations

Automatic Fundamental Calculations of Molecular Structure

1956 • 191 citations

Origin of Rotational Barriers. I. Many-Electron Molecular Orbital Wavefunctions for Ethane, Methyl Alcohol, and Hydrogen Peroxide

1967 • 189 citations

Semiempirical Molecular Orbitals for General Polyatomic Molecules. II. One-Electron Model Prediction of the H–O–H Angle

1965 • 176 citations

Molecular Charge Distributions and Chemical Binding. II. First-Row Diatomic Hydrides, AH

1967 • 165 citations

Molecular Calculations. I. LCAO MO Self-Consistent Field Treatment of the Ground State of H2O

1955 • 164 citations

Analysis of Charge Distributions: Hydrogen Fluoride

1964 • 141 citations

A view of bond formation in terms of molecular charge distributions

1968 • 126 citations

Two-centre integrals occurring in the theory of molecular structure

1942 • 118 citations

Geometry of Molecules. I. Wavefunctions for Some Six- and Eight-Electron Polyhydrides

1966 • 116 citations

The electrostatic calculation of molecular energies - I. Methods of calculating molecular energies

1954 • 111 citations

Study of the Electronic Structure of Molecules. I. Molecular Wavefunctions and Their Analysis

1967 • 101 citations

Geometry of Molecules. III. F2O, Li2O, FOH, LiOH

1966 • 94 citations

The Ionic Bond

1965 • 83 citations

Electronic Structures of NH, NH2, and NH3

1956 • 75 citations

Low-Lying Valence Levels of BN and C2. The Ground State of BN

1967 • 73 citations

LCAO SCF Computations for Ammonia

1966 • 67 citations

Ab Initio Calculation of Harmonic Force Constants

1966 • 65 citations

Low-Lying Energy Levels of Magnesium Oxide

1966 • 62 citations

Theory of the Origin of the Internal-Rotation Barrier in the Ethane Molecule. I

1965 • 57 citations

THE HELLMANN–FEYNMAN THEOREM AND CHEMICAL BINDING

1961 • 57 citations

Perturbation Theory of the Constrained Variational Method in Molecular Quantum Mechanics

1966 • 54 citations

LCAO–SCF Computations for Hydrogen Peroxide

1966 • 53 citations

Valence Levels of Beryllium Oxide

1966 • 53 citations

THE ELECTRON DENSITY DISTRIBUTIONS IN HYDRIDE MOLECULES: I. THE WATER MOLECULE

1963 • 52 citations

Geometry of Molecules. II. Diborane and Ethane

1966 • 51 citations

Theory of the Origin of the Internal-Rotation Barrier in the Ethane Molecule. II

1966 • 48 citations

Electron-Density Distributions in Hydride Molecules. The Ammonia Molecule

1963 • 46 citations

Calculation of the geometrical structure of some AHn molecules

1964 • 44 citations

On the Internal Rotation Potential in H2O2

1967 • 44 citations

Constrained-Variation Method in Molecular Quantum Mechanics. Comparison of Different Approaches

1966 • 40 citations

Electronic Structure and Geometry of Hydrogen Cyanide

1967 • 39 citations

LCAO–MO–SCF Calculations Using Gaussian Basis Functions. II. BeH2

1968 • 35 citations

Angular correlation diagrams for AH2-type molecules

1963 • 33 citations

Approximate Electronic Energy Surfaces from Cuspless Wave Functions

1960 • 22 citations

THE ELECTRON DENSITY DISTRIBUTIONS IN HYDRIDE MOLECULES: III. HYDROGEN FLUORIDE

1963 • 20 citations

SCF LCAO Study of Linear and Bent Acetylene

1961 • 18 citations

Semiquantitative United-Atom Treatment and the Shape of Triatomic Molecules

1959 • 14 citations

Die Walsh’sche Regel im Rahmen der MO-LCAO-Näherung I (AH₂-Moleküle)

1961 • 12 citations

Calcul électronique des constantes de force et du spectre infrarouge des molécules H₂O et D₂O

1963 • 12 citations

Nuclear repulsion effects in molecular bonding

1968 • 8 citations

Nature of the one electron energies of the independent electron molecular orbital theory and of the Walsh diagrams

1966 • 8 citations

The integral Hellmann-Feynman theorem applied to hydrogen peroxide

1967 • 7 citations

Über Metabolitkonzentrationen in Jensen-Geschwülsten in Abhängigkeit vom Tumoralter

1962 • 6 citations

ELECTRONIC POTENTIAL SURFACES OF ACETYLENE IN LCAO/MO APPROXIMATION

1960 • 4 citations

Die WALSHsche Regel im Rahmen der MO-LCAO-Näherung III (AB₂-Moleküle)

1963 • 3 citations