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Theory Finally Agrees with Experiment for the Dynamics of the Cl + C(2)H(6) Reaction

[Image: see text] Since the pioneering reaction dynamics studies of H + H(2) in the 1970s, theory increased the system size by one atom in every decade arriving to six-atom reactions in the early 2010s. Here, we take a significant step forward by reporting accurate dynamics simulations for the nine-...

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Detalles Bibliográficos
Autores principales: Papp, Dóra, Tajti, Viktor, Győri, Tibor, Czakó, Gábor
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7309313/
https://www.ncbi.nlm.nih.gov/pubmed/32441943
http://dx.doi.org/10.1021/acs.jpclett.0c01263