PROYECTOS I+D

Project CTQ2005-09334-C02-02 MINISTERIO DE EDUCACIÓN Y CIE

Estudio teórico y experimental de la dinámica y cinética de reacciones químicas. Química atmosférica, procesos de combustión y algunas aplicaciones a sistemas con un número elevado de átomos.

Duration: from 31 December 2005 to 31 December 2008 (36 months)

58,310.00 EUR

Researchers

Foto de María del Pilar

María del Pilar

Puyuelo García

Leader

Foto de Pedro Alberto

Enríquez Palma

Foto de Rafael

Foto de Francisco Javier

Francisco Javier

Guallar Otazúa

Foto de Rodrigo

Foto de José Daniel

Publications related to the project

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2009

The OH+D2 -> HOD+D angle-velocity distributions: quasi-classical trajectory calculations on the YZCL2 and WSLFH potential energy surfaces and comparison with experiments at ET=0.28 eV.
Physical Chemistry Chemical Physics

2008

Quantum dynamics study of the K+HF(v=0-2, j=0) -> KF + H reaction and comparison with quassiclassical trajectory results
Journal of Chemical Physics

2007

Searching for resonances in the reaction CL + CH4 -> HCL + CH3: Quantum versus cuasiclassical dynamics and comparison with experiments
Journal of Chemical Physics

2006

Exact quantum dynamics study of the O+ + H2(v=0, j=0)-> OH+ + H ion-molecule reaction and comparison with quasiclassical trajectory calculations
Journal of Chemical Physics
Time dependent quantum dynamics study of the O+ + H2(v=0,j=0) -> OH+ + H ion-molecule reaction and isotopic variants (D2, HD).
Journal of Chemical Physics