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Memorias de investigación
Ponencias en congresos:
Analysis of the vibrational dynamics of molecular systems with 3 degrees of freedom
Año:2012
Áreas de investigación
  • Física química y matemáticas
Datos
Descripción
The dynamical processes that occur in a single molecule are critical in determining their reactivity, which is the ultimate goal of any Chemical Theory. Identify the vibrational modes that are coupled in an efficient manner through Fermi resonances, and how energy flows through it, is an important task in Molecular Dynamics. When the system has two degrees of freedom there are well known mathematical tools to be used, such as the Poincar¿e Surface of Section (SSP). However, when the system has more than two degrees of freedom the SSP is not enough to have a complete picture of the dynamics. In recent years it has successfully studied molecular systems with three degrees of freedom by the Frequency Map (FM). The FM is useful to distinguish regular and chaotic areas in phase space, and can also be seen indications of diffusion on the web formed by the resonance lines in frequency space. A complementary study based on the idea of analyzing the separation of nearby orbits, is the calculation of SALI (Small Alignment Index). This index study the behavior of nearby trajectories associated vectors that can be easily calculated from the resolution of Hamilton?s equations of the system (regardless of dimension).
Internacional
Si
Nombre congreso
Dynamical Systems: 100 years after Poincaré [http://www.unioviedo.es/ds100Poincare/]
Tipo de participación
960
Lugar del congreso
Gijón (España)
Revisores
Si
ISBN o ISSN
000-00-000-0000-0
DOI
Fecha inicio congreso
03/09/2012
Fecha fin congreso
07/09/2012
Desde la página
126
Hasta la página
127
Título de las actas
Dynamical Systems. 100 years after Poincaré. Abstracts Book. [http://www.unioviedo.es/ds100Poincare/wp-content/uploads/2012/08/AbstractsBook-DS100Poincare2012.pdf]
Esta actividad pertenece a memorias de investigación
Participantes
  • Autor: Juan Carlos Losada Gonzalez (UPM)
  • Autor: Pedro Manuel Benitez Gamero (UPM)
  • Autor: Rosa Maria Benito Zafrilla (UPM)
  • Autor: F. Borondo ((Universidad Autónoma de Madrid))
Grupos de investigación, Departamentos, Centros e Institutos de I+D+i relacionados
  • Creador: Grupo de Investigación: Grupo de Sistemas Complejos
  • Departamento: Física y Mecánica Fundamentales y Aplicada a la Ingeniería Agroforestal
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