Determination of kinetic properties in unimolecular dissociation of complex systems from graph theory based analysis of an ensemble of reactive trajectories-Reference-Cited by-同舟云学术

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Determination of kinetic properties in unimolecular dissociation of complex systems from graph theory based analysis of an ensemble of reactive trajectories

Published:2021-09-28 Issue:12 Volume:155 Page:124103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Perez-Mellor Ariel F.¹²^ORCID,Spezia Riccardo²^ORCID

Affiliation:

1. LAMBE UMR8587, Université d’Evry Val d’Essonne, CNRS, CEA, Université Paris-Saclay, Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, 91025 Evry, France

2. Laboratoire de Chimie Théorique, Sorbonne Université and CNRS, F-75005 Paris, France

Funder

Agence Nationale de la Recherche

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0058382

Reference84 articles.

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

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

3. Theoretical studies of hyperthermal O(3P) collisions with hydrocarbon self-assembled monolayers

4. Classical trajectory simulations of post-transition state dynamics

5. Direct Chemical Dynamics Simulations

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