Barrier to Internal Rotation in Ethane Using the Hellman—Feynman Theorem

Quantum Mechanics

1961 • 16,366 citations

The Nature of the Chemical Bond

1939 • 13,296 citations

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

1955 • 10,259 citations

Forces in Molecules

1939 • 3,570 citations

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

Theory of Polyhedral Molecules. I. Physical Factorizations of the Secular Equation

1962 • 938 citations

Internal Rotation and Microwave Spectroscopy

1959 • 639 citations

Electronic Polarizabilities of Ions from the Hartree-Fock Wave Functions

1954 • 578 citations

The Problem of the Normal Hydrogen Molecule in the New Quantum Mechanics

1928 • 407 citations

Studies in Molecular Structure. II. LCAO-MO-SCF Wave Functions for Selected First-Row Diatomic Molecules

1960 • 399 citations

Table of molecular integrals

1955 • 373 citations

One-Center Basis Set SCF MO's. I. HF, CH4, and SiH4

1964 • 192 citations

The Normal State of the Hydrogen Molecule

1931 • 191 citations

The energy and screening constants of the hydrogen molecule

1937 • 187 citations

Calculation of the Barrier to Internal Rotation in Ethane

1963 • 185 citations

Analysis of Charge Distributions: Hydrogen Fluoride

1964 • 141 citations

Configuration Interaction in the Hydrogen Molecule—The Ground State

1960 • 141 citations

The molecular orbital theory of chemical valency. III. Properties of molecular orbitals

1950 • 123 citations

Two-centre integrals occurring in the theory of molecular structure

1942 • 118 citations

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

1954 • 111 citations

Hellmann-Feynman Theorem and Correlation Energies

1962 • 110 citations

Constrained Molecular Wavefunctions: HF Molecule

1963 • 89 citations

Theorem Governing Changes in Molecular Conformation

1964 • 88 citations

The Normal State of the Hydrogen Molecule-Ion

1933 • 78 citations

Field Gradients at the Deuteron in Molecules

1960 • 71 citations

Ground State Electronic Wave Function of Methane

1960 • 62 citations

Integral Hellmann—Feynman Theorem

1964 • 58 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

Reliability of the Hellmann—Feynman Theorem for Approximate Charge Densities

1962 • 56 citations

An Approach to the Internal Rotation Problem

1963 • 54 citations

Constrained-Variation Method in Molecular Quantum Mechanics. Application to Lithium Hydride

1965 • 53 citations

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

1963 • 52 citations

Floating Wave Functions for H2+ and H2

1958 • 51 citations

Electron-Density Distributions in Hydride Molecules. The Ammonia Molecule

1963 • 46 citations

Self-Consistent Field Calculation of the Ground State of Methane

1964 • 27 citations

THE USE OF THE HELLMANN–FEYNMAN THEOREM TO CALCULATE MOLECULAR ENERGIES

1960 • 24 citations

Force Calculation with Hartree—Fock Wavefunctions

1963 • 23 citations

Calculation of the Barrier to Internal Rotation of Ethane

1966 • 23 citations

Hindered Rotation, Hellmann—Feynmann Theorem, and Localized Molecular Orbitals

1964 • 22 citations

Numerical Calculations by the Hellmann—Feynman Procedure

1963 • 19 citations

On Parr's Theorem

1965 • 19 citations

Distortion of Atomic Orbitals in Molecular Orbitals. I. Polarization of the Hydrogen Atom in H2+

1962 • 15 citations

The crystallography of the biscyclic dibenzacridines I. The electron distribution in 1.2:8.9-dibenzacridine

1960 • 15 citations

X-ray scattering factor of a hydrogen atom in a hydrogen molecule

1963 • 10 citations

The electron distribution of the bonded hydrogen atom in carbon-hydrogen bonds

1965 • 3 citations