Franck–Condon factors in studies of the dynamics of chemical reactions. III. Analysis of information theory for vibration–rotation distributions and isotopic branching ratios

Molecular Reaction Dynamics

1975 • 417 citations

Mechanism of Rotational Relaxation

1972 • 359 citations

Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. II. Accurate cross sections for H+H2

1976 • 357 citations

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

1971 • 320 citations

Effect of changing reagent energy on reaction probability and product energy-distribution

1973 • 296 citations

Energy disposal and energy consumption in elementary chemical reactions. Information theoretic approach

1974 • 275 citations

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

1972 • 245 citations

Exact quantum, quasiclassical, and semiclassical reaction probabilities for the collinear F+H2 → FH+H reaction

1975 • 235 citations

Entropy and Chemical Change. II. Analysis of Product Energy Distributions: Temperature and Entropy Deficiency

1972 • 220 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

Quantum mechanical reaction cross sections for the three-dimensional hydrogen exchange reaction

1975 • 198 citations

Crossed Molecular Beam Study of F+D2

1970 • 195 citations

Quantum mechanical reactive scattering: An accurate three-dimensional calculation

1975 • 195 citations

Vibrational energy transfer in molecular collisions: An information theoretic analysis and synthesis

1975 • 186 citations

Entropy and Chemical Change. I. Characterization of Product (and Reactant) Energy Distributions in Reactive Molecular Collisions: Information and Entropy Deficiency

1972 • 160 citations

Microscopic Reversibility for Rates of Chemical Reactions Carried Out with Partial Resolution of the Product and Reactant States

1971 • 154 citations

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

1973 • 149 citations

Energy Distribution Among Reaction Products. V. H + X2 (X ≡ Cl, Br), D + Cl2

1972 • 140 citations

Energy distribution among reaction products. IX. F + H2, HD and D2

1976 • 117 citations

Franck–Condon factors in studies of dynamics of chemical reactions. I. General theory, application to collinear atom–diatom reactions

1977 • 115 citations

Cross sections for rotational energy transfer: An information-theoretic synthesis

1976 • 111 citations

Dynamical Resonances in Collinear, Coplanar, and Three-Dimensional Quantum Mechanical Reactive Scattering

1975 • 110 citations

Golden rule calculation of reaction product vibronic state distributions

1974 • 103 citations

Surprisal analysis and probability matrices for rotational energy transfer

1976 • 95 citations

The effect of reagent energy on chemical reaction rates: An information theoretic analysis

1975 • 91 citations

A collinear analytic model for atom–diatom chemical reactions

1976 • 87 citations

Exact quantum, quasiclassical, and semiclassical reaction probabilities for the collinear F+D2 → FD+D reaction

1975 • 84 citations

On the product rotational state distribution in exoergic atom—diatomic molecule reactions

1973 • 82 citations

Entropy analysis of product energy distributions in nonreactive inelastic collisions

1974 • 74 citations

Laser-induced fluorescence determination of internal-state distribution of OH produced by H+NO2 in crossed molecular beams

1976 • 74 citations

Diabatic transition state theory and the concept of temperature

1972 • 74 citations

Dynamics of chemical reactions

1967 • 72 citations

Franck–Condon factors in studies of dynamics of chemical reactions. II. Vibration–rotation distributions in atom–diatom reactions

1977 • 67 citations

Energy disposal and energy requirements for elementary chemical reactions

1973 • 64 citations

Quantum theory of angular momentum coupling in reactive collisions

1976 • 63 citations

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

1974 • 61 citations

Energy requirements and energy disposal: Reaction probability matrices and a computational study of a model system

1974 • 57 citations

Product state distribution in chemical reactions: Vibrational temperature and rotational distributions

1973 • 51 citations

Kinetic isotope effects in the reaction of fluorine atoms with molecular hydrogen. II. The F + HD/DH intramolecular isotope effect

1973 • 50 citations

An experimental test of the Bernstein—Levine theory of branching ratios

1976 • 49 citations

Product state distribution in exoergic chemical reactions and the concept of temperature

1972 • 42 citations

Note on the Polanyi–Woodall equation for rotational relaxation

1975 • 41 citations

From bulk vibrational relaxation data to the detailed (microscopic) rate constants

1975 • 40 citations

Information-theoretic analysis of quantum mechanical reaction cross sections

1975 • 35 citations

Information-theoretic analysis of the kinetic intramolecular isotope effect for the F + HD reaction

1974 • 30 citations

Vibrational energy transfer in non-reactive molecular collisions: An information-theoretic analysis

1975 • 29 citations

Monte Carlo calculations of reaction rates and energy distribution among reaction products, fluorine + hydrogen deuteride .far. hydrogen fluoride + deuterium and fluorine + hydrogen deuteride .far. deuterium fluoride + hydrogen

1973 • 25 citations

The dependence of the branching ratio in the F+HD reaction on the initial rotational state of HD

1976 • 24 citations

The populations time evolution in vibrational disequilibrium: An information theoretic approach with application to HF

1975 • 17 citations