AB initio studies of hydrogen exchange and abstraction in the H + CH4 system

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

1971 • 9,621 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Pseudo-rotation in the hydrolysis of phosphate esters

1968 • 763 citations

Methane as a Numerical Experiment for Polarization Basis Function Selection

1971 • 79 citations

ESR Study of the Kinetics of the Reaction of H Atoms with Methane

1969 • 75 citations

Trajectory Studies of Hot-Atom Reactions. I. Tritium and Methane

1970 • 67 citations

Reactions Involving Hydrogen and the Hydrocarbons

1939 • 51 citations

Energy and chemical reaction. I. Dynamics of simple ionic and atomic processes

1969 • 43 citations

AB initio calculation of activation energy for an SN2 reaction

1970 • 38 citations

Reactions of 2.8-eV Tritium Atoms with Methane

1969 • 28 citations

Activation energies of the reversible reaction between hydrogen atoms and methane to give hydrogen and methyl radicals

1968 • 27 citations

T-for-H substitution in methane: a hot-atom reaction with walden inversion?

1969 • 22 citations

Alternative Technique for the Calculation of Single-Determinant Open-Shell SCF Functions Which Are Eigenfunctions of S2

1970 • 22 citations

An examination of hydrogen exchange in CH+5 by the CNDO method

1969 • 17 citations

Potential Field and Force Constants of Some Trigonal Bipyramidal Pentahalides

1959 • 11 citations

Complete retention of configuration during the replacement of hydrogen by energetic tritium in dl- and meso-(CHFCl)2

1971 • 10 citations

Hydrogen exchange and abstraction in the H + CH4 system as calculated by the CNDO/2 method

1971 • 8 citations

The Bipyramidal XY5 Molecular Model. Part I. Classical Vibration Problem

1953 • 6 citations