A theoretical study of the potential energy surface for the isomerization reaction of fluoranthene to aceanthrylene: Implications for combustion chemistry

Thanh-Binh Nguyen (1) , Dorra Khiri (2) , Sonia Taamalli (2) , Laurent Gasnot , Florent Louis (2) , Abderrahman El Bakali (2) , Duy Quang Dao (3)

1 Faculty of Chemical Engineering, The University of Da Nang - University of Science and Technology
2 PC2A - Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522
3 DTU - Duy Tan University

Domaines: Chimie

Thanh-Binh Nguyen, Dorra Khiri, Sonia Taamalli, Laurent Gasnot, Florent Louis, et al.. A theoretical study of the potential energy surface for the isomerization reaction of fluoranthene to aceanthrylene: Implications for combustion chemistry. Computational and Theoretical Chemistry, 2021, pp.113118. ⟨10.1016/j.comptc.2020.113118⟩. ⟨hal-03049302⟩