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Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C2H6 ⇌ CH3 + CH3
Wang, Chun-Hung, Masunov, Artëm E., Panteleev, Sergey Valer'evich, Allison, Tim C., Chung, Sungho, Lim, Chansun, Jin, Yuin, Vasu, Subith SLanguage:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.9b02302
Date:
April, 2019
File:
PDF, 645 KB
english, 2019