Accurate theoretical estimates of the electron affinities of AHn molecules by isogyric comparisons. Proton affinities of AHn− anions

Ab initio molecular orbital theory

1976 • 7,942 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

JANAF THERMOCHEMICAL TABLES

1989 • 3,047 citations

A Fundamental Equation of State for Heavy Water

1982 • 1,495 citations

Gas phase ion chemistry

1979 • 1,089 citations

JANAF Thermochemical Table

1985 • 887 citations

The NBS tables of chemical thermodynamic properties

1982 • 793 citations

Improved Theoretical Ground-State Energy of the Hydrogen Molecule

1968 • 587 citations

Scale of acidities in the gas phase from methanol to phenol

1979 • 330 citations

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

1985 • 316 citations

Theoretical thermochemistry. 1. Heats of formation of neutral AHn molecules (A = Li to Cl)

1985 • 282 citations

Efficient and accurate calculation of anion proton affinities

1981 • 280 citations

Atomic Negative Ions

1964 • 260 citations

Electronic correlation energy in 3- and 4-electron atoms

1961 • 251 citations

An evaluation of the performance of diffuse function‐augmented basis sets for second row elements, Na‐Cl

1987 • 241 citations

Methylene: A Paradigm for Computational Quantum Chemistry

1986 • 229 citations

A full CI treatment of the 1A1–3B1 separation in methylene

1986 • 211 citations

Geometry and singlet-triplet energy gap in methylene: a critical review of experimental and theoretical determinations

1985 • 190 citations

Configuration-interaction study of atoms. I. Correlation energies of B, C, N, O, F, and Ne

1974 • 171 citations

Theoretical thermochemistry. 2. Ionization energies and proton affinities of AHn species (A = C to F and Si to Cl); heats of formation of their cations

1987 • 131 citations

Configuration-interaction study of atoms. II. Electron affinities of B, C, N, O, and F

1974 • 128 citations

PNO-CI and CEPA studies of electron correlation effects. VI. Electron affinities of the first-row and second-row diatomic hydrides and the spectroscopic constants of their negative ions

1978 • 125 citations

The evaluation of molecular electron affinities

1986 • 85 citations

Ab initio determination of the proton affinities of small neutral and anionic molecules

1986 • 79 citations

Basis set and electron correlation effects on the electron affinities of first row atoms

1985 • 78 citations

A b i n i t i o calculations of radiative transition probabilities in SH, SH+, and SH−

1985 • 74 citations

Theoretical characterization of negative ions. Calculation of the electron affinities of carbon, oxygen, and fluorine

1982 • 66 citations

On the electron affinity of the oxygen atom

1986 • 63 citations

Open‐shell coupled‐cluster method: Electron affinities of Li and Na

1987 • 61 citations

A b i n i t i o multireference CI determinations of the electron affinity of carbon and oxygen

1985 • 60 citations

Electron affinity of fluorine: A quantum Monte Carlo study

1986 • 55 citations

A Mo/ller–Plesset study of the electron affinities of the diatomic hydrides XH (X=Li, B, Be, C, N, O)

1986 • 45 citations

Electron affinity calculations on NH−2, PH−2, CN−, SH−, OH−, Cl−, and F−: Basis sets and direct vs indirect methods

1987 • 43 citations

Accurate numerical orbital MBPT/CC study of the electron affinity of fluorine and the dissociation energy of hydrogen fluoride

1986 • 39 citations

Ab initio calculation of Broensted acidities

1988 • 37 citations

Many-body theory of the ionization energies of CH3-, SiH3-, and GeH3-

1987 • 32 citations

Electron affinities in the self-interaction-corrected local spin density approximation

1987 • 31 citations

Small carbanions and their parent neutral systems in the multiconfigurational SCF + CI approach

1986 • 27 citations

Electron affinity of hydroxyl radical

1986 • 23 citations

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

1987 • 7 citations