Structures and rearrangement processes for the prototype alkyl, alkenyl and alkynyl anions: A theoretical study of the ethyl, ethenyl and ethynyl anions

The influence of polarization functions on molecular orbital hydrogenation energies

1973 • 14,592 citations

Note on an Approximation Treatment for Many-Electron Systems

1934 • 13,955 citations

Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

1983 • 6,550 citations

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

1980 • 3,758 citations

Theoretical models incorporating electron correlation

2009 • 1,556 citations

Molecular orbital theory of the electronic structure of organic molecules. 40. Structures and energies of C1-C3 carbocations including effects of electron correlation

1981 • 343 citations

Systematic study of molecular anions within the self-consistent-field approximation: OH−, CN−, C2H−, NH−2, and CH−3

1985 • 316 citations

Stabilization of methyl anions by first‐row substituents. The superiority of diffuse function‐augmented basis sets for anion calculations

1982 • 258 citations

An experimental determination of the geometry and electron affinity of methyl radical

1978 • 224 citations

Theoretical Studies of Negative Molecular Ions

1977 • 151 citations

Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, SO2, CS2, Cl2, Br2, I2, and C2H

1973 • 126 citations

Photon impact studies of C2HCN and CH3CN in the vacuum ultraviolet; heats of formation of C2H and CH3CN

1973 • 122 citations

Influence of molecular distortions upon reactivity and stereochemistry in nucleophilic additions to acetylenes

1979 • 115 citations

Relative gas-phase acidities of the alkanes

1984 • 108 citations

Photoablösung von Elektronen bei einigen stabilen negativen Ionen

1970 • 102 citations

Reactions of O− with N2, N2O, SO2, NH3, CH4, and C2H4 and C2H2− with O2 from 300 °K to relative kinetic energies of ∼2 eV

1975 • 98 citations

The additivity of polarization function and electron correlation effects in ab initio molecular-orbital calculations

1982 • 78 citations

Study of additivity of correlation and polarization effects in relative energies

1981 • 67 citations

Gas-phase reactions of oxide radical ion and hydroxide ion with simple olefins and of carbanions with oxygen

1970 • 59 citations

Inversion barriers by the MINDO [modified intermediate neglect of differential overlap] method

1969 • 59 citations

Analyse conformationnelle th�orique

1970 • 50 citations

Ab initio SCF-MO calculations on carbanions. Methyl, ethyl, vinyl, and ethynyl anions

1975 • 46 citations

The Vinyl Carbanion¹

1959 • 45 citations

A study of the vinyl anion system. Rearrangements and formation from hydride(1-) ion and acetylene

1978 • 42 citations

The stability of alkyl anions. A molecular orbital theoretical study

1978 • 42 citations

Nucleophilic Addition to a Triple Bond; Preliminary ab initio study

1978 • 41 citations

An experimental and theoretical determination of the electron affinity of the ethynyl radical, HC2⋅

1979 • 40 citations

Does a methyl substituent stabilize or destabilize anions?

1978 • 40 citations

A nonempirical molecular orbital study on the acidity of the carbon–hydrogen bond

1977 • 40 citations

Equilibrium OH− + C2H2 ⇄ C2H− + H2O and the determination of Δ H°f,298 (C2H−)

1974 • 36 citations

Nonplanar structures of the singlet and triplet cyclopropenyl anions. An ab initio study

1985 • 31 citations

Mass spectrometric determination of the electronaffinities of radicals

1970 • 28 citations

Stereochemical consequences of adjacent electron pairs. Theoretical study of rotation-inversion in ethylene dicarbanion

1972 • 25 citations

Studies on the SCF ground state energy surfaces of HC2 and HC2−

1977 • 15 citations

Electron affinity of the HC2 radical

1978 • 13 citations