Geometry, basis set, and correlation energy dependence of computed protonation energies of imino bases

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

1980 • 15,793 citations

The influence of polarization functions on molecular orbital hydrogenation energies

1973 • 14,592 citations

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

1971 • 9,621 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. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

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

1980 • 3,758 citations

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1969 • 2,327 citations

Approximate fourth‐order perturbation theory of the electron correlation energy

1978 • 1,337 citations

Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory

1980 • 1,192 citations

A semi‐empirical <scp>MO</scp> theory for ionization potentials and electron affinities

1977 • 546 citations

SCF-CI studies of correlation effects on hydrogen bonding and ion hydration

1975 • 312 citations

Gas Phase Ion Chemistry

1979 • 266 citations

Gas phase basicities and relative proton affinities of compounds between water and ammonia from pulsed ion cyclotron resonance thermal equilibriums measurements

1977 • 208 citations

Stabilities of positive ions from equilibrium gas-phase basicity measurements

1979 • 130 citations

Origin of alkyl substituent effect in the proton affinity of amines, alcohols, and ethers

1976 • 118 citations

Molecular orbital study of some protonated bases

1982 • 92 citations

Ab initio investigation of the HCO+ and COH+ molecule-ions: Structure and potential surfaces for dissociation in ground and excited states

1975 • 79 citations

Ab initio calculations on small hydrides including electron correlation

1973 • 74 citations

The proton affinity of ammonia. A theoretical determination

1980 • 42 citations

Geometry, basis set, and correlation energy dependence of computed protonation energies of carbonyl bases

1983 • 33 citations

Basis set dependence of correlation corrections to protonation energies

1981 • 31 citations

Relative proton affinities of methyl-substituted amines. Dependence on basis set

1981 • 30 citations

Proton affinities of ethylidenimine and vinylamine

1979 • 29 citations

A molecular orbital study of protonation. 3. Equilibrium structures and energies of ions RCHOH+

1978 • 29 citations

Chemical consequences of orbital interactions. 14. Ab initio molecular orbital study of the geometries, properties, and protonation of simple organofluorides

1978 • 21 citations

A molecular orbital study of protonation. Geometry and basis set dependence of computed proton affinities

1978 • 18 citations

The energetic effects of p, d, and f Gaussian polarization functions on closed‐shell AH_n oxygen and sulfur hydrides

1977 • 15 citations