Gas-phase Reactions
Kinetics and reaction dynamics of gas-phase reactions involved in atmospheric chemistry and in combustion processes.
Description
Gas phase reactions are important in combustion, astrophysics and atmospheric processes. The accuracy reached in the study of these reactions is high taking advantage of first principles calculations and the further construction of reliable potential energy surfaces for all the electronic states involved in the reactive process. In our group of research, we have developed several potential energy surfaces for then study kinetic and dynamical properties interesting to understand the microscopic mechanism behind the reaction. Different methodologies have been used in our group, from statistical and classical methods to more sophisticated quantum dynamical methods. In the last years we have also studied quantum dynamics of non adiabatic processes involving more than one electronic states.
Collaborations
Prof. Carlo Petrongolo (CNR, Pisa, Italy), Prof. Miguel González (Dept. Materials Science and Physical Chemistry, UB, Barcelona, Spain), Dr. Paolo Defazio (Dept. Química, Università degli Studi di Siena, Siena, Italy), Dr. Rodrigo Martínez (Dept. Química, Universidad de La Rioja, Logroño, Spain), Prof. Sinan Akpinar (Dept. Physics, Firat University, Elazig, Turkey).
Fundings
Secretaría de Estado de Universidades e Investigación (Project: PB95-0598-C02-01)
European Union (Projects: INTAS 99-00701)
Generalitat de Catalunya (Project: 2005SGR00175)
