Dynamically biased statistical model for the ortho/para conversion in the H2 + H3+ → H3+ + H2 reaction

In this work we present a dynamically biased statistical model to describe the evolution of the title reaction from statistical to a more direct mechanism, using quasi-classical trajectories (QCT). The method is based on the one previously proposed by Park and Light [J. Chem. Phys. 126, 044305 (2007...

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Veröffentlicht in:	The Journal of chemical physics 2012-09, Vol.137 (9), p.094303-094303
Hauptverfasser:	Gómez-Carrasco, Susana, González-Sánchez, Lola, Aguado, Alfredo, Sanz-Sanz, Cristina, Zanchet, Alexandre, Roncero, Octavio
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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