Theoretical investigations of the reaction dynamics of polyatomic systems: Chemistry of the hot atom (T* + CH4) and (T* + CD4) systems

INFRARED AND RAMAN SPECTRA

1972 • 1,179 citations

Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2)

1965 • 975 citations

Location of Energy Barriers. I. Effect on the Dynamics of Reactions A + BC

1969 • 390 citations

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

1971 • 320 citations

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

1972 • 245 citations

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

1969 • 177 citations

Distribution of reaction products (theory). VIII. Cl+HI, Cl+DI

1973 • 161 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

Monte Carlo Calculations. II. The Reactions of Alkali Atoms with Methyl Iodide

1962 • 137 citations

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

1971 • 135 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

Theoretical Investigations of Reactive Collisions in Molecular Beams: K +CH3I

1964 • 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

Dynamics of the Molecular and Atomic Mechanisms for the Hydrogen-Iodine Exchange Reaction

1972 • 94 citations

Theoretical Investigations of Reactive Collisions in Molecular Beams: K+CH3I and Related Systems

1966 • 93 citations

Classical dynamical investigations of reaction mechanism in three-body hydrogen-halogen systems

1973 • 88 citations

Vibrational relaxation in atom-exchange reactions: A classical, Monte Carlo, trajectory study

1973 • 80 citations

Theoretical Investigation of Reactive Collisions in Molecular Beams: K+Br2

1968 • 79 citations

Ab Initio Calculations on the H2+D2=2HD Four-Center Exchange Reaction. I. Elements of the Reaction Surface

1969 • 77 citations

ESR Study of the Kinetics of the Reaction of H Atoms with Methane

1969 • 75 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

On a Classical Trajectory Study of Energy Transfer in Some Atom-Diatomic Molecule Systems

1972 • 70 citations

Monte Carlo Trajectories: The Dynamics of Harpooning in Alkali–Halogen Reactions

1968 • 69 citations

Trajectory Studies of Hot-Atom Reactions. I. Tritium and Methane

1970 • 67 citations

Theoretical Studies of Hot-Atom Reactions. I. General Formulation

1966 • 56 citations

Distribution of Reaction Products. VI. Hot-Atom Reactions, T + HR

1970 • 56 citations

Classical trajectory studies of long‐lived collision complexes. I. Reaction of K atoms with NaCl molecules

1973 • 54 citations

Trajectory study of reactions in HBr–Br2 systems

1973 • 50 citations

Threshold Energy for Substitution of T for D in CD4

1969 • 46 citations

Monte Carlo calculations of reaction rates and energy distributions among reaction products. III. H+F2→ HF+F and D+F2→ DF+F

1973 • 46 citations

Further Study of the Reaction of Hot Hydrogen with Methane

1967 • 46 citations

Potential energy surface for hydrogen abstraction and exchange in the H + CH4 system

1972 • 46 citations

Monte Carlo Classical Trajectory Calculation of the Rates of F-Atom Vibrational Relaxation of HF and DF

1972 • 45 citations

Monte Carlo calculations of reaction rates and energy distributions among reaction products. IV. F+HF(ν) → HF(ν′)+F and F+DF(ν) → DF(ν′)+F

1973 • 44 citations

Trajectory Studies of Atomic Recombination Reactions. II. The Energy Transfer Mechanism and Nonequilibrium Effects

1972 • 43 citations

The Effect of Moderators on the Reactions of Hot Hydrogen Atoms with Methane

1960 • 42 citations

Isotope effects in the substitution reaction of 2.8-eV tritium atoms with methane

1971 • 41 citations

Theoretical Investigations of Translation—Rotation Energy Transfer: (H2, He) and (D2, He) Systems

1967 • 39 citations

Quasiclassical Trajectory Analysis for the Reaction of Potassium Atoms with Oriented Methyl Iodide Molecules¹

1966 • 36 citations

Trajectory Studies of Halogen Atom—Molecule Exchange Reactions

1971 • 34 citations

Dynamic Effects in Exchange Reactions: Dependence of Thermal Rate Constants upon Vibrational Excitation

1970 • 33 citations

Classical Monte Carlo Analysis of Four-Body Reactions: K + C2H5I System

1966 • 32 citations

Rb + CH3I: Empirically determined potential and predicted cross sections for reactive scattering

1972 • 31 citations

Reactions of 2.8-eV Tritium Atoms with Methane

1969 • 28 citations

Theoretical Studies of Hot-Atom Reactions. II. Yields for Exchange Reactions of Hot Tritium Atoms with Hydrogen and Deuterium Molecules: Simple Models for Nonreactive Scattering

1970 • 27 citations

Effects of Variations of the Potential-Energy Surface on the Attributes of Simple Exchange Reactions: Classical Calculations

1972 • 26 citations

Energy-dependent cross sections for the tritium-methane hot atom reactions

1973 • 26 citations

Substitution Reaction of 3-Ey Tritium Atoms with Methane¹

1966 • 25 citations

Crucial role of dynamic effects in the hydrogen-iodine reactions

1970 • 25 citations

Molecular Dynamics: The Dissociation of H2 by He

1972 • 23 citations

AB initio studies of hydrogen exchange and abstraction in the H + CH4 system

1972 • 22 citations

Configuration Interaction in the Simple Valence-Bond Wavefunction for the Potential-Energy Surfaces of Sigma-Bonded Four-Center Exchange-Reaction Complexes

1969 • 22 citations

A classical trajectory study of the effect of reaction barrier height on the vibrational energy transfer efficiency in the Cl + HCl system

1973 • 21 citations

Recoil Tritium Reactions in Methane—Hydrogen Mixtures: CH4—D2

1967 • 19 citations

Classical Trajectory Calculations of the Scattering of TlF on Ar in Thermal Beams

1971 • 15 citations

Use of an Analog Computer for the Study of Chemical Reaction Dynamics

1969 • 14 citations

Rotational relaxation in the H2,Ar system: A Monte Carlo trajectory calculation

1971 • 14 citations