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Distribution of reaction products (theory). Investigation of an ab initio energy-surface for F + H2 ⇀ HF + H

Data up to Jan 2025

Published1974
Citations58
References30

Total Citations Per Year

Abstract

References (30)

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

1966 • 386 citations

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

1971 • 320 citations

Energy Distribution Among Reaction Products. VI. F+H2, D2

1972 • 255 citations

Classical Dynamics of the Reaction of Fluorine Atoms with Hydrogen Molecules. II. Dependence on the Potential Energy Surface

1972 • 245 citations

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

1969 • 239 citations

F + H2, D2, HD reactions: Chemical laser determination of the product vibrational state populations and the F + HD intramolecular kinetic isotope effect

1973 • 205 citations

Classical S Matrix for Rotational Excitation; Quenching of Quantum Effects in Molecular Collisions

1971 • 190 citations

Multiple Potential Energy Surfaces for Reactions of Species in Degenerate Electronic States

1972 • 183 citations

Location of Energy Barriers. II. Correlation with Barrier Height

1969 • 183 citations

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

1969 • 177 citations

Collisions of F(2P1/2) with H2

1974 • 167 citations

Potential Energy Surface Including Electron Correlation for F + H 2 → FH + H: Refined Linear Surface

1972 • 163 citations

Monte Carlo trajectories: Dynamics of the reaction F+D2 on a semiempirical valence-bond potential energy surface

1973 • 149 citations

Large quantum effects in the collinear F + H2 → FH + H reaction

1973 • 146 citations

Comment on "Multiple Potential Energy Surfaces for Reactions of Species in Degenerate Electronic States" by D. G. Truhlar

1972 • 137 citations

Classical Trajectory Analysis of the Reaction F+H2→HF+H

1971 • 135 citations

Monte Carlo Calculations. V. Three-Dimensional Study of a General Bimolecular Interaction Potential

1964 • 114 citations

Semiempirical VB Calculation of the (H2I2) Interaction Potential

1970 • 114 citations

Monte Carlo Calculations of Reaction Rates and Energy Distributions Among Reaction Products. I. F+H2→HF+H

1972 • 111 citations

Quantum mechanical computational studies of chemical reactions : III. Collinear A + BC reaction with some model potential energy surfaces

1973 • 109 citations

Classical Dynamics of the Reaction of Fluorine Atoms with Hydrogen Molecules. III. The Hot-Atom Reactions of 18F with HD

1972 • 107 citations

Eine Methode zur Erzeugung von Fluoratomen in inerter Atmosphäre

1970 • 100 citations

Initial vibrational energy distributions determined by infra-red chemiluminescence

1971 • 96 citations

Monte Carlo calculations of reaction rates and energy distribution among reaction products. II. H+HF(v) → H2 (v′) + F and H+HF(v) → HF(v′) + H

1973 • 73 citations

The relation between collinear and 3-D dynamical calculations of reactive molecular collisions

1974 • 61 citations

Test of bond-order methods for predicting the position of the minimum-energy path for hydrogen atom transfer reactions

1972 • 54 citations

Modified Semiempirical Approach to the H3 Potential-Energy Surface

1967 • 42 citations

Revised General A + BC Potential for Trajectory Studies

1970 • 31 citations

Rational selection of methods for molecular scattering calculations

1973 • 21 citations

Three-dimensional reaction cross sections from planar scattering data

1974 • 21 citations

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