Calculation of the Barrier to Internal Rotation of Ethane

Note on an Approximation Treatment for Many-Electron Systems

1934 • 13,955 citations

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

1955 • 10,259 citations

Forces in Molecules

1939 • 3,570 citations

Contact Electron-Spin Coupling of Nuclear Magnetic Moments

1959 • 2,920 citations

Methods in Computational Physics

1964 • 2,231 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

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

1962 • 938 citations

Internal Rotation and Microwave Spectroscopy

1959 • 639 citations

Table of molecular integrals

1955 • 373 citations

Method for Calculating Internal Rotation Barriers

1965 • 336 citations

Potential energies for rotation about single bonds

1951 • 189 citations

Calculation of the Barrier to Internal Rotation in Ethane

1963 • 185 citations

Electronic Structure of Molecules

1966 • 170 citations

Analysis of Charge Distributions: Hydrogen Fluoride

1964 • 141 citations

Torsional frequencies in the far infrared—III

1963 • 136 citations

STERIC HINDRANCE AND COLLISION DIAMETERS¹

1932 • 122 citations

The electrostatic calculation of molecular energies - II. Approximate wave functions and the electrostatic method

1954 • 115 citations

Hellmann-Feynman Theorem and Correlation Energies

1962 • 110 citations

Theorem Governing Changes in Molecular Conformation

1964 • 88 citations

On Errors in Hartree—Fock Calculations

1963 • 82 citations

Structure of molecules and the chemical bond

1950 • 81 citations

Stationary Properties of the Hartree-Fock Approximation

1961 • 79 citations

An Electrostatic Theory of the Potential Barriers Hindering Rotation around Single Bonds

1949 • 74 citations

Internal Barrier in Ethane

1958 • 73 citations

ON THE ORIGIN OF POTENTIAL BARRIERS TO INTERNAL ROTATION IN MOLECULES

1957 • 72 citations

Integral Hellmann—Feynman Theorem

1964 • 58 citations

An Approach to the Internal Rotation Problem

1963 • 54 citations

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

1963 • 52 citations

Electron-Density Distributions in Hydride Molecules. The Ammonia Molecule

1963 • 46 citations

Methylchloroform: The Infrared Spectrum from 130-430 cm.^-1, the Energy Levels and Potential for Internal Rotation and the Thermodynamic Properties¹

1953 • 36 citations

An empirical method for calculating barriers to internal rotation in simple molecules

1962 • 31 citations

Restricted rotation in ethane

1951 • 27 citations

Valence Bond Calculation of the Barrier to Internal Rotation in Molecules

1959 • 26 citations

Force Calculation with Hartree—Fock Wavefunctions

1963 • 23 citations

Note on the Internal-Rotation Barrier in Ethanic Compounds

1960 • 22 citations

Origin of the Barrier Hindering Internal Rotation in Ethane

1964 • 19 citations

Studies of delocalized electron bonding

1963 • 16 citations

ON THE EVALUATION OF CERTAIN TWO- AND THREE-CENTER MOLECULAR INTEGRALS OCCURRING IN ELECTROSTATIC CALCULATIONS

1962 • 15 citations

Internal potential barriers in saturated hydrocarbons

1953 • 11 citations

Calculation of Potential Barriers for Ethane-Like Symmetric Tops

1956 • 10 citations