Statistical Calculations


Associated with theoretical studies (Raphaël Mereau or Yacine Hannachi from the theoretical group...), statistical kinetics calculations are performed to determine all products and branching ratios of a reaction, as well as to extrapolate the experimental rate constant data to others temperatures and pressures. The results can be introduced into astrochemical or atmospheric models.

These calculations are performed with the help of Franoise Caralp and Wendell Forst.


Publications :

A new look at reactions of 2-butoxy and 1-butoxy radicals in the presence of oxygen.
F. Caralp, W. Forst, A. Bergeat.
Phys. Chem. Chem. Phys. (2008),10, 5746-5753.

Gas-Phase Kinetics of Hydroxyl Radical Reactions with Alkenes : Experiment and Theory.
J. Daranlot, A. Bergeat, F. Caralp, P. Caubet, M. Costes, W. Forst, J.C. Loison, K.M. Hickson.
Chem. Phys. Chem. (2010), 11, 4002-4010.

Gas-Phase Kinetics of Hydroxyl Radical Reactions with C3H6 and C4H8 : Product Branching Ratios and OH addtion Site-Specificity
J.C. Loison, J. Daranlot, A. Bergeat, F. Caralp, R. Mereau, K.M. Hickson.
J. Phys. Chem. (2010), 114, 13326-13336.





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Actualités

Publication d’un article dans Science - Groupes C2M / GSM (Oct.2020)
16 décembre 2020

M.-A. Dourges, responsable de la Plateforme de Caractérisation des (...)


Publication d’un article dans Physical Review Letters - Groupe COMEX (Nov.2020)
15 décembre 2020

Astrochimie : La nature quantique des collisions eau-hydrogène (...)


Stéphane Quideau nommé Membre Senior de l’IUF
13 novembre 2019

Le Professeur Stéphane Quideau (ISM/groupe ORGA) a été nommé Membre (...)