Relaxation during internal rotation ethane and hydrogen peroxyde

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

1955 • 10,259 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Internal-Rotation in Hydrogen Peroxide: The Far-Infrared Spectrum and the Determination of the Hindering Potential

1965 • 328 citations

Studies of Hydrogen Peroxide: The Infrared Spectrum and the Internal Rotation Problem

1962 • 287 citations

Direct Observation of the Infrared Torsional Spectrum of C2H6, CH3CD3, and C2D6

1968 • 265 citations

Electronic Structure and Inversion Barrier of Ammonia

1970 • 213 citations

A comparison of different contractions for molecular calculations with gaussian-type functions

1968 • 196 citations

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

1967 • 189 citations

Calculation of the Barrier to Internal Rotation in Ethane

1963 • 185 citations

The Potential Constants of Ethane

1952 • 183 citations

The Determination of the Potential Constants of SO2 from Centrifugal Distortion Effects

1954 • 171 citations

Ab Initio Calculations of the Barriers to Internal Rotation of CH3CH3, CH3NH2, CH3OH, N2H4, H2O2, and NH2OH

1967 • 147 citations

Self-Consistent Group Calculations on Polyatomic Molecules. I. Basic Theory with an Application to Methane

1965 • 142 citations

Geometry Optimization in the Computation of Barriers to Internal Rotation

1970 • 126 citations

Energy component analysis of rotational barriers

1968 • 120 citations

Barrier to Internal Rotation in Ethane

1966 • 113 citations

Theory of the Interaction of Hindered Internal Rotation with Over-All Rotations. I. Symmetric Rotors: Methyl Silane

1954 • 95 citations

Distortional effects on the ethane internal rotation barrier and rotation barriers in borazane and methylsilane

1969 • 76 citations

Millimeter-Wave Spectrum of Hydrogen Peroxide

1969 • 76 citations

Theoretical Analysis of the Effects of Hydrogenation in Hydrocarbons: Accurate SCF MO Wavefunctions for C2H2, C2H4, and C2H6

1967 • 70 citations

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

1965 • 57 citations

LCAO–SCF Computations for Hydrogen Peroxide

1966 • 53 citations

Distortional effects on the internal rotation in hydrogen peroxyde

1969 • 48 citations

Calculation of the Barrier to Internal Rotation in Ethane with Improved Exponential Wavefunctions

1967 • 48 citations

On the Internal Rotation Potential in H2O2

1967 • 44 citations

Ab Initio Bond-Orbital Calculations. II. An Improved Procedure for Saturated Hydrocarbons

1969 • 39 citations

Distortional Effects on the Ethane Internal-Rotation Barrier

1966 • 39 citations

Barrier to internal rotation in hydrogen persulphide

1970 • 36 citations

Electronic structure and inversion barrier of phosphine. An ab initio SCF–LCAO–MO study

1969 • 31 citations

Theoretical Study of the Barriers to Internal Rotation in Hydrogen Persulfide, HSSH

1969 • 29 citations

Ab initio calculation of the inversion barrier in ammonia

1970 • 27 citations

Eine Rechenzeitsparende Programmierung des Wellenmechanischen Self-Consistent-Field Verfahrens f�r Molek�le (SCF?MO?LCGO-Verfahren)

1967 • 19 citations

Progress in Physical Organic Chemistry

1967 • 14 citations

Geometrical changes during the internal rotation in ethane

1969 • 13 citations

Comments on “geometrical changes during the internal rotation in ethane”

1969 • 4 citations