A ring polymer molecular dynamics study of the Cl + O3 reaction-Reference-Cited by-同舟云学术

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A ring polymer molecular dynamics study of the Cl + O3 reaction

Published:2014 Issue:7 Volume:16 Page:2920
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

de Tudela R. Pérez,Suleimanov Y. V.,Menéndez M.,Castillo J. F.,Aoiz F. J.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C3CP54405B

Reference46 articles.

1. Stratospheric sink for chlorofluoromethanes: chlorine atom-catalysed destruction of ozone

2. Large losses of total ozone in Antarctica reveal seasonal ClOx/NOx interaction

3. Kinetics of the reaction Cl + O3 → ClO + O2

4. Kinetics of the reactions of O(3P) and Cl(2P) with HBr and Br2

5. Kinetic Studies of Chlorine Atom Reactions Using the Turbulent Flow Tube Technique

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1. Caracal: A Versatile Ring Polymer Molecular Dynamics Simulation Package;Journal of Chemical Theory and Computation;2023-08-09

2. Rate coefficients and kinetic isotope effects of Cl+XCl→XCl+Cl (X=H, D, Mu) reactions from ring polymer molecular dynamics;Chinese Journal of Chemical Physics;2021-08

3. Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties;Physical Chemistry Chemical Physics;2021

4. An accurate potential energy surface and ring polymer molecular dynamics study of the Cl + CH4→ HCl + CH3reaction;Physical Chemistry Chemical Physics;2020

5. VTST and RPMD kinetics study of the nine-body X + C2H6 (X ≡ H, Cl, F) reactions based on analytical potential energy surfaces;Physical Chemistry Chemical Physics;2020

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