Publications of the theoretical chemistry group

You can find below the publication list of all members of the theoretical chemistry group at ENS. For the list of each individual member, please consult their personal webpage from the Members page.


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1981

Vibrational-Translational Energy Transfer from Highly Excited Anharmonic Oscillators Article de journal

D J Nesbitt; J T Hynes

Chemical Physics Letters, 82 (2), p. 252-254, 1981, (cited By 24).

Reaction Rate Constant for the BGK Model Article de journal

J T Hynes

Chemical Physics Letters, 79 (2), p. 344-346, 1981, (cited By 21).

A Continuum Theory for Quadrupole Relaxation of Ions in Solution Article de journal

J T Hynes; P G Wolynes

The Journal of Chemical Physics, 75 (1), p. 395-401, 1981, (cited By 45).

Reactive Modes in Condensed Phase Reactions Article de journal

R F Grote; J T Hynes

The Journal of Chemical Physics, 74 (8), p. 4465-4475, 1981, (cited By 220).

1980

The Stable States Picture of Chemical Reactions. I. Formulation for Rate Constants and Initial Condition Effects Article de journal

S H Northrup; J T Hynes

The Journal of Chemical Physics, 73 (6), p. 2700-2714, 1980, (cited By 194).

The Stable States Picture of Chemical Reactions. II. Rate Constants for Condensed and Gas Phase Reaction Models Article de journal

R F Grote; J T Hynes

The Journal of Chemical Physics, 73 (6), p. 2715-2732, 1980, (cited By 1071).

Stochastic Trajectory Simulation of Iodine Recombination in Liquids Article de journal

J T Hynes; R Kapral; G M Torrie

The Journal of Chemical Physics, 72 (1), p. 177-188, 1980, (cited By 72).

1979

Short Range Caging Effects for Reactions in Solution. I. Reaction Rate Constants and Short Range Caging Picture Article de journal

S H Northrup; J T Hynes

The Journal of Chemical Physics, 71 (2), p. 871-883, 1979, (cited By 146).

Short Range Caging Effects for Reactions in Solution. II. Escape Probability and Time Dependent Reactivity Article de journal

S H Northrup; J T Hynes

The Journal of Chemical Physics, 71 (2), p. 884-893, 1979, (cited By 30).

Molecular Theory of Translational Diffusion: Microscopic Generalization of the Normal Velocity Boundary Condition Article de journal

J T Hynes; R Kapral; M Weinberg

The Journal of Chemical Physics, 70 (3), p. 1456-1466, 1979, (cited By 95).

Kinetic Energy Relaxation of a Test Particle in a Dense Fluid Article de journal

M Pagitsas; J T Hynes; R Kapral

The Journal of Chemical Physics, 71 (11), p. 4492-4501, 1979, (cited By 6).

1978

On the Description of Reactions in Solution Article de journal

S H Northrup; J T Hynes

Chemical Physics Letters, 54 (2), p. 244-247, 1978, (cited By 40).

On Reaction Rate Constants and Rate Kernels Article de journal

S H Northrup; J T Hynes

Chemical Physics Letters, 54 (2), p. 248-252, 1978, (cited By 21).

Coupling of Translational and Reactive Dynamics for a Simple Lattice Model Article de journal

S H Northrup; J T Hynes

Journal of Statistical Physics, 18 (1), p. 91-105, 1978, (cited By 15).

Reactive Dynamics for Diffusive Barrier Crossing Article de journal

S H Northrup; J T Hynes

The Journal of Chemical Physics, 69 (12), p. 5246-5260, 1978, (cited By 82).

Initial Condition Effects for Diffusive Barrier Crossing Article de journal

S H Northrup; J T Hynes

The Journal of Chemical Physics, 69 (12), p. 5261-5266, 1978, (cited By 27).

Coupling of Translational and Reactive Dynamics for a Fokker-Planck Model Article de journal

S H Northrup; J T Hynes

The Journal of Chemical Physics, 68 (7), p. 3203-3216, 1978, (cited By 48).

Molecular Rotation and Reorientation: Microscopic and Hydrodynamic Contributions Article de journal

J T Hynes; R Kapral; M Weinberg

The Journal of Chemical Physics, 69 (6), p. 2725-2733, 1978, (cited By 115).

1977

Slip Boundary Condition and Rough Sphere Angular Velocity Correlations Article de journal

J T Hynes; R Kapral; M Weinberg

Chemical Physics Letters, 47 (3), p. 575-577, 1977, (cited By 22).

Slip Boundary Condition for Rough Sphere Rotation Article de journal

J T Hynes; R Kapral; M Weinberg

Chemical Physics Letters, 46 (3), p. 463-466, 1977, (cited By 46).

Particle Rotation and Translation in a Fluid with Spin Article de journal

J T Hynes; R Kapral; M Weinberg

Physica A: Statistical Mechanics and its Applications, 87 (3), p. 427-452, 1977, (cited By 26).

Microscopic Boundary Layer Effects and Rough Sphere Rotation Article de journal

J T Hynes; R Kapral; M Weinberg

The Journal of Chemical Physics, 67 (7), p. 3256-3267, 1977, (cited By 57).

1976

Rotational Relaxation for a Rough Particle Model Article de journal

J E Clauter; J T Hynes

Chemical Physics Letters, 38 (2), p. 248-252, 1976, (cited By 8).

On Exponential Time Decay in Relaxation Article de journal

R I Cukier; J T Hynes

The Journal of Chemical Physics, 64 (6), p. 2674-2683, 1976, (cited By 17).

1975

Nonlinear Momentum Relaxation of an Impurity in a Harmonic Chain Article de journal

J T Hynes; R Kapral; M Weinberg

Journal of Statistical Physics, 13 (5), p. 427-449, 1975, (cited By 4).

Microscopic Theory of Brownian Motion. II. Nonlinear Langevin Equations Article de journal

J T Hynes; R Kapral; M Weinberg

Physica A: Statistical Mechanics and its Applications, 81 (4), p. 485-508, 1975, (cited By 15).

Microscopic Theory of Brownian Motion: Mori Friction Kernel and Langevin-Equation Derivation Article de journal

J T Hynes; R Kapral; M Weinberg

Physica A: Statistical Mechanics and its Applications, 80 (2), p. 105-127, 1975, (cited By 23).

Microscopic Theory of Brownian Motion. III. The Nonlinear Fokker-Planck Equation Article de journal

J T Hynes; R Kapral; M Weinberg

Physica A: Statistical Mechanics and its Applications, 81 (4), p. 509-521, 1975, (cited By 8).

1974

Nonlinear Fluctuations in Master Equation Systems. I. Velocity Correlation Function for the Rayleigh Model Article de journal

J T Hynes

The Journal of Chemical Physics, 62 (8), p. 2972-2981, 1974, (cited By 17).

Initial Condition Effects for a Brownian Particle in a Harmonic Chain Article de journal

J T Hynes

Journal of Statistical Physics, 11 (3), p. 257-275, 1974, (cited By 11).

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