A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction-Reference-Cited by-同舟云学术

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A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction

Published:2013 Issue:10 Volume:15 Page:3655
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Suleimanov Yury V.,de Tudela Ricardo Pérez,Jambrina Pablo G.,Castillo Jesús F.,Sáez-Rábanos Vicente,Manolopoulos David E.,Aoiz F. Javier

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2013/CP/C2CP44364C

Reference45 articles.

1. Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics

2. Chemical reaction rates from ring polymer molecular dynamics

3. A refined ring polymer molecular dynamics theory of chemical reaction rates

4. Proton transfer in a polar solvent from ring polymer reaction rate theory

5. Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice

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