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

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

1965 • 1,701 citations

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

1967 • 1,483 citations

Pseudo-rotation in the hydrolysis of phosphate esters

1968 • 763 citations

Super acids. III. Protonation of alkanes and intermediacy of alkanonium ions, pentacoordinated carbon cations of CH5+ type. Hydrogen exchange, protolytic cleavage, hydrogen abstraction; polycondensation of methane, ethane, 2,2-dimethylpropane and 2,2,3,3-tetramethylbutane in FSO3H-SbF5

1969 • 272 citations

Studies in Molecular Structure. I. Scope and Summary of the Diatomic Molecule Program

1960 • 234 citations

近似的な自己無どう着分子軌道理論 II 微分重なりを完成に無視したときの計算

1965 • 132 citations

Near hartree-fock energy and equilibrium geometry of CH+5

1970 • 95 citations

Application of the Pople-Snatry-Segal complete neglect of differential overlap method to some hydrocarbons and their cations

1968 • 80 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

Distribution of Reaction Products. VI. Hot-Atom Reactions, T + HR

1970 • 56 citations

Retention and inversion in bimolecular substitution reactions of methane

1969 • 54 citations

Reactions Involving Hydrogen and the Hydrocarbons

1939 • 51 citations

An investigation of the geometry of the CH+5 ion by the CNDO method

1969 • 46 citations

The electronic structure and stability of CH+5 and CH−5

1970 • 44 citations

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

1969 • 43 citations

The equilibrium geometry and electronic structure of the CH5 cation calculated with CNDO

1970 • 37 citations

ab initio LCGO-MO-SCF calculation of the potential energy surface for an SN2 reaction

1970 • 36 citations

Electronic structure of carbonium ions. Alkyl cations and protonated hydrocarbons

1968 • 33 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

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

1969 • 17 citations

Non-empirical LCAO MO SCF studies on CH5+

1969 • 14 citations

Corrections to: Non-empirical LCAO MO SCF studies on CH+5

1969 • 5 citations

Absolutberechnung der Aktivierungsenergie des Prozesses H+CH ₄→CH ₄+H

1960 • 4 citations