Potential Energy Surface Including Electron Correlation for the Chemical F + H2 → FH + H I. Preliminary Surface

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Potential Energy Surface for H3

1964 • 665 citations

Energy Distribution Among Products of Exothermic Reactions. II. Repulsive, Mixed, and Attractive Energy Release

1966 • 386 citations

A Natural Orbital Based Energy Calculation for Helium Hydride and Lithium Hydride

1966 • 359 citations

Monte Carlo Calculations of Energy Partitioning and Isotope Effects in Reactions of Fluorine Atoms with H2, HD, and D2

1971 • 320 citations

Vibrational Energy Distribution through Chemical Laser Studies. I. Fluorine Atoms plus Hydrogen or Methane

1969 • 239 citations

Crossed Molecular Beam Study of F+D2

1970 • 195 citations

Energy Distribution in the Exothermic Reaction F + H2 and the Endothermic Reaction HF + H

1969 • 177 citations

Potential energy surfaces for atom transfer reactions involving hydrogens and halogens

1971 • 155 citations

Interaction Potential between Li and HF

1970 • 147 citations

Ab Initio Potential Curve for the X 3Σg− State of O2

1971 • 130 citations

Semiempirical VB Calculation of the (H2I2) Interaction Potential

1970 • 114 citations

Correlation of Experimental Rate Constants of the Hydrogen Exchange Reactions with a Theoretical H3 Potential Surface, Using Transition-State Theory

1968 • 105 citations

Notes on the luminescence of sodium vapour in highly dilute flames

1939 • 104 citations

Photoionization Mass Spectrometric Study of F2, HF, and DF

1971 • 90 citations

Electron Correlation in the Lowest Σ+1 State of Beryllium Oxide

1971 • 72 citations

Distribution of reaction products (theory). VII. D⁺ + H₂ → DH + H⁺ using an ab initio potential-energy surface

1969 • 70 citations

Multiconfiguration Wavefunctions for the Water Molecule

1971 • 57 citations

Geometry and electronic structure of the hydroperoxyl radical

1971 • 54 citations

Optimized Valence Configurations and the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Molecule

1970 • 53 citations

Pseudonatural Orbitals as a Basis for the Superposition of Configurations. II. Energy Surface for Linear H3

1968 • 53 citations

Energy Requirements for Chemical Reaction: H + HF→H2 + F

1970 • 45 citations

Krypton Monofluoride and Its Positive Ion

1971 • 38 citations

Obtaining Hartree—Fock Orbitals from a Many-Electron Trial Wavefunction

1963 • 2 citations