Cationic Methylene–Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies

Mathias Rapacioli (1) , Aude Simon (1) , Charlotte C.M. Marshall (2) , Jérôme Cuny (1) , Damian Kokkin (2) , Fernand Spiegelman (1) , Christine Joblin (2)

1 MAD - Modélisation, Agrégats, Dynamique (LCPQ)
2 IRAP - Institut de recherche en astrophysique et planétologie

Domaines: Chimie théorique et/ou physique

Mathias Rapacioli, Aude Simon, Charlotte C.M. Marshall, Jérôme Cuny, Damian Kokkin, et al.. Cationic Methylene–Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies. Journal of Physical Chemistry A, 2015, 119 (51), pp.12845-12854. ⟨10.1021/acs.jpca.5b09494⟩. ⟨hal-01252811⟩