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

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

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

Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements

1982 • 1,989 citations

JANAF thermochemical tables

1972 • 1,919 citations

Theoretical models incorporating electron correlation

2009 • 1,556 citations

Approximate fourth‐order perturbation theory of the electron correlation energy

1978 • 1,337 citations

Quantum chemistry program exchange

1987 • 1,001 citations

Møller–Plesset theory for atomic ground state energies

1975 • 931 citations

Self-consistent molecular orbital methods. XV. Extended Gaussian-type basis sets for lithium, beryllium, and boron

1975 • 746 citations

Variance algorithm for minimization

1968 • 511 citations

Efficient and accurate calculation of anion proton affinities

1981 • 280 citations

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

1982 • 258 citations

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

1975 • 160 citations

Theoretical Studies of Negative Molecular Ions

1977 • 151 citations

Theoretical Study of Negative Molecular Ions

2011 • 137 citations

Dipole stabilization of .alpha.-heteroatom carbanions: theory and experiment

1981 • 85 citations

Thermodynamic stability of carbonyl anions, R-.hivin.C:O. A molecular orbital examination

1981 • 82 citations

Geometry optimization in ab initio molecular orbital theory

1975 • 69 citations

Structures of simple anions from ab initio molecular orbital calculations

1976 • 64 citations

Competition between proton transfer and elimination in the reactions of strong bases with fluoroethanes in the gas phase. Influence of base strength on reactivity

1976 • 52 citations

Reactions of strong bases with alkyl halides in the gas phase. New look at E2 base-induced elimination reactions without solvent participation

1974 • 44 citations

The stability of alkyl anions. A molecular orbital theoretical study

1978 • 42 citations

The preferred structure of C2H−2

1982 • 35 citations

The fluoroformate ion, FCO₂⁻. An ion cyclotron resonance study of the gas phase Lewis acidity of carbon dioxide and related isoelectronic species

1978 • 30 citations

Structures of complex beryllium hydrides and fluorides, LiBeX3 and Li2BeX4

1981 • 25 citations

Negative ion-molecule reactions in sulfuryl halides

1979 • 22 citations

Acid-base properties of 1-methyl-1,4-dihydroborabenzene, CH3BC5H6

1978 • 21 citations

Inversion barriers in methyl-substituted amines

1981 • 17 citations

The rotational barrier of the allyl anion

1981 • 8 citations