Observatorio de I+D+i UPM

Memorias de investigación
Communications at congresses:
Normal forms for the dynamics of a laser-driven chemical reaction
Year:2013
Research Areas
  • Physics chemical and mathematical
Information
Abstract
The Transition Sate Theory allows to obtain kinetic information about molecular systems without knowing the whole Potential Energy Surface. It is based on the obtention of a dividing surface on the phase space. The equator of the dividing surface corresponds to the so called "activated complex". Once it is known it makes possible to obtain the gap time distributions, the reactive density of states, or the reactive flux across it and so, to calculate reaction rates. Such a dividing surface can be calculated even if the Hamiltonian function depends on time. That fact enables us to include laser-pulse perturbations, and so to study its effect on the dynamics and kinetics of molecular systems. Here we study the isomerization process for the molecular system LiNC/LiCN.
International
Si
Congress
XXXIII Dynamics Days Europe [www.dynamics-days-europe-2013.org]
960
Place
Madrid
Reviewers
Si
ISBN/ISSN
978-84-15302-43-8
Start Date
03/06/2013
End Date
07/06/2013
From page
111
To page
111
XXXIII Dynamics Days Europe. Book of Abstracts [www.dynamics-days-europe-2013.org/DDEXXXIII-AbstractsBook.pdf]
Participants
  • Autor: María del Henar Hernández Mendiola (UPM)
  • Autor: Àngel Jorba (Universidad de Barcelona)
  • Autor: Juan Carlos Losada Gonzalez (UPM)
  • Autor: Rosa Maria Benito Zafrilla (UPM)
  • Autor: Florentino Borondo (Universidad Autónoma de Madrid)
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Grupo de Sistemas Complejos
  • Departamento: Física y Mecánica Fundamentales y Aplicada a la Ingeniería Agroforestal
S2i 2019 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)