The importance of negative (anionic) hyperconjugation

Note on an Approximation Treatment for Many-Electron Systems

1934 • 13,955 citations

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

1955 • 10,259 citations

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

1971 • 9,621 citations

A Rapidly Convergent Descent Method for Minimization

1963 • 4,529 citations

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

1980 • 3,758 citations

Approximate fourth‐order perturbation theory of the electron correlation energy

1978 • 1,337 citations

Møller–Plesset theory for atomic ground state energies

1975 • 931 citations

Variance algorithm for minimization

1968 • 511 citations

Hyperconjugation^*

1941 • 366 citations

Efficient and accurate calculation of anion proton affinities

1981 • 280 citations

Detailed orbital theory of substituent effects. Charge transfer, polarization, and the methyl group

1974 • 266 citations

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

1982 • 258 citations

Intensities of Electronic Transitions in Molecular Spectra IV. Cyclic Dienes and Hyperconjugation

1939 • 219 citations

Strong conformational consequences of hyperconjugation

1972 • 217 citations

Superjacent orbital control. Interpretation of the anomeric effect

1973 • 178 citations

On the magnitudes and origins of the “anomeric effects”, “exo-anomeric effects”, “reverse anomeric effects”, and CX and CY bond -lengths in XCH2YH molecules

1979 • 165 citations

A b i n i t i o computation of force constants. The second and third period hydrides

1975 • 160 citations

The Electrical Effect of the Trifluoromethyl Group

1950 • 133 citations

Molecular orbital theory of the electronic structure of organic compounds. XVI. Conformations and stabilities of substituted ethyl, propyl, and butyl cations

1972 • 124 citations

Electronic Structures of Polyatomic Molecules and Valence. V. Molecules RXn

1933 • 112 citations

Theoretical approach to substituent effects. Structures and stabilities of carbanions XCH2

1981 • 83 citations

The importance of hyperconjugation in nucleophilic vinylic substitution

1979 • 76 citations

Geometry optimization in ab initio molecular orbital theory

1975 • 69 citations

429. The mechanism of aromatic side-chain reactions with special reference to the polar effects of substituents. Part V. The polar effects of alkyl groups

1935 • 66 citations

Ab initio studies of structural features not easily amenable to experiment

1981 • 60 citations

In support of anionic hyperconjugation. The versatile methyl group

1977 • 48 citations

Molecular orbital theory of the electronic structure of molecules. XXVII. Energies and conformations of XCH2Y systems involving lithium, beryllium, and boron

1976 • 48 citations

Critical examination of fluorine hyperconjugation in aromatic systems

1971 • 47 citations

Lone pair-polar bond hyperconjugation in carbon-halogen chemistry

1975 • 40 citations

Theoretical studies on E2 elimination reactions. Evidence that syn elimination is accompanied by inversion of configuration at the carbanionic center

1979 • 39 citations

Anomeric Effect: Origin and Consequences

1979 • 29 citations

Negative fluorine hyperconjugation. A theoretical re-examination

1981 • 23 citations

AB initio electron density analysis of β-fluoroethyl anion: The non-importance of anionic fluorine hyperconjugation

1981 • 22 citations

A priori calculations in isotopic exchange equilibriums

1978 • 20 citations

A theoretical approach to substituent effects. Structural consequences of electrostatic and orbital interactions in model mono‐ and disubstituted methanes

1980 • 15 citations

The Reaction of Lithium α-Lithiocarboxylates (Dianions of Carboxylic Acids) or α-Lithiocarboxylic Esters (Ester Enolates) with α-Halocarboxylic Esters or Lithium α-Halocarboxylates

1980 • 14 citations

A theoretical approach to substituent effects. Stabilities and rotational barriers of β-substituted ethyl anions

1980 • 13 citations