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

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

Localized Atomic and Molecular Orbitals

1963 • 1,526 citations

Quelques aspects de la théorie des orbitales moléculaires

1949 • 654 citations

Single determinant wave functions

1961 • 633 citations

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

1959 • 389 citations

Hindered Rotation of the Methyl Groups in Ethane

1936 • 208 citations

Potential energies for rotation about single bonds

1951 • 189 citations

Calculation of the Barrier to Internal Rotation in Ethane

1963 • 185 citations

The Potential Constants of Ethane

1952 • 183 citations

A Quantum Variational Calculation for HCHO

1960 • 166 citations

STERIC HINDRANCE AND COLLISION DIAMETERS¹

1932 • 122 citations

Theorem Governing Changes in Molecular Conformation

1964 • 88 citations

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

1949 • 74 citations

Internal Barrier in Ethane

1958 • 73 citations

Configuration Interaction Study of the Lithium Hydride Molecule

1962 • 72 citations

THE NATURE OF BOND ORBITALS AND THE ORIGIN OF POTENTIAL BARRIERS TO INTERNAL ROTATION IN MOLECULES

1958 • 70 citations

Integral Hellmann—Feynman Theorem

1964 • 58 citations

The theory of the structure of ethylene and a note on the structure of ethane

1934 • 55 citations

An Approach to the Internal Rotation Problem

1963 • 54 citations

Internal Rotation and Resonance in Hydrocarbons

1939 • 49 citations

Molecular Parameters of Ethane

1962 • 46 citations

Localized Molecular Orbitals for Ethane

1964 • 35 citations

Restricted rotation in ethane

1951 • 27 citations

Internal Rotation in Hydrogen Peroxide and Methyl Alcohol: A Simple Electrostatic Model

1965 • 24 citations

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

1964 • 22 citations

Internal Rotation of Propane and Propylene; the Origin of the Internal Restricting Potentials

1938 • 19 citations

Origin of the Barrier Hindering Internal Rotation in Ethane

1964 • 19 citations

Energy Differences and Parr's Integral Hellmann—Feynman Theorem

1965 • 16 citations

Note on the Internal Rotation Problem

1960 • 14 citations

Calculation of the Field Gradient at the Deuteron in Formaldehyde

1964 • 13 citations

Asymmetric Internal Rotational Barriers about Single Bonds

1953 • 13 citations

Electron Distributions Involved in Barriers to Internal Rotation

1964 • 10 citations

One-Electron Perturbations in Self-Consistent Field Theory

1964 • 6 citations