Calculations of the isotropic hyperfine coupling constants in free radicals

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

1966 • 1,906 citations

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

1967 • 1,483 citations

Electron Spin Resonance Studies of Transient Alkyl Radicals

1963 • 1,250 citations

Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments

1967 • 1,039 citations

Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cations

1971 • 450 citations

Molecular orbital theory of the electronic structure of organic compounds. II. Spin densities in paramagnetic species

1968 • 353 citations

The Electronic Spectra of Aromatic Molecules IV: Excited States of Odd Alternant Hydrocarbon Radicals and Ions

1955 • 333 citations

Electron spin resonance spectra of some isotopically substituted hydrocarbon radicals

1967 • 290 citations

Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons

1971 • 253 citations

Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants

1970 • 218 citations

ESR Study of Ethynyl and Vinyl Free Radicals

1964 • 212 citations

Paramagnetic Defects in Irradiated NH4ClO4

1961 • 138 citations

Paramagnetic Resonance of Alkyl Nitroxides

1966 • 118 citations

Approximate Self-Consistent Molecular-Orbital Theory. VI. INDO Calculated Equilibrium Geometries

1968 • 114 citations

ESR of the CN Radical in Inert Matrices

1970 • 112 citations

Molecular orbital methods in organic chemistry

1970 • 109 citations

13C Hyperfine Splittings in the Electron Spin Resonance Spectra of HCO and FCO

1966 • 101 citations

Electron spin resonance study of phenyl radicals isolated in an argon matrix at 4.deg.K

1969 • 91 citations

Electron Spin Resonance Spectra of the N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>…

1958 • 91 citations

ESR Study of HĊO in Single Crystals of Formic Acid at 77°K

1969 • 88 citations

Calculation of Fermi Contact Hyperfine Splitting for Small Atoms and Molecules

1969 • 66 citations

E.s.r studies of the acetyl and benzoyl radicals

1971 • 57 citations

ESR of 17O-Labeled Nitrogen Dioxide Trapped in a Single Crystal of Sodium Nitrite

1969 • 48 citations

Ab Initio Calculation of H2NO Geometry and Hyperfine Splittings

1970 • 44 citations

Electron Spin Resonance and Structure of the BF2 Radical

1969 • 41 citations

On the calculation of the hyperfine coupling constants in free radicals

1972 • 40 citations

Self-Consistent Molecular-Orbital Methods. VIII. Molecular Studies with Least Energy Minimal Atomic Orbitals

1970 • 31 citations

Discovery and electron spin resonance spectra of matrix-stabilized hydronium radicals H3O and D3O

1971 • 30 citations

Electron spin resonance spectrum of HCN⁻in alkali halide matrices

1966 • 30 citations

On the spin density distribution in the benzyl radical

1971 • 27 citations

ESR Study of OH Radicals Originating from Water of Crystallization of Carboxylic Acids. I. Sodium Hydrogen Maleate Trihydrate

1971 • 25 citations

ESR of 17O-Labeled CO2− Radical Trapped in a Single Crystal of Sodium Formate

1971 • 25 citations

Unstable intermediates. Part LXVI. Electron spin resonance study of radiation products in γ-irradiated alkali borohydrides: the radicals HBO–and BH3–

1969 • 23 citations

Quantum Theoretical Considerations of the ortho:para Ratio for Proton Isotropic Hyperfine Coupling Constants in Benzyl Radical

1971 • 22 citations

Ab initio UHF calculations.—Part 5.–HBO^–, HCO, HCN^–and hyperconjugation in H₂CN

1971 • 16 citations

Ab initio UHF calculations. Part 6.—Anisotropic coupling constants

1971 • 14 citations

Ab initio UHF calculations. Part 2.—The NH₂radical

1970 • 14 citations

Structure and ESR Spectra of RCONH Radicals

1971 • 13 citations

“Mixed basis” calculation of hyperfine coupling constants

1969 • 11 citations

Conformation and hyperfine splittings of the acetyl radical through ab initio calculations

1971 • 11 citations

Ab initio<scp>UHF</scp> calculations on the vinyl radical

1970 • 10 citations

The cyanide radical

1969 • 8 citations

The calculation of positive ancl negative spin densities in aromatic free radicals

1966 • 8 citations

Ab initio UHF calculations of hyperfine coupling constants

1970 • 7 citations