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Estudio teórico de procesos fotoinducidos en sistemas biológicos

Thesis published in 2009 by Gloria Olaso González
This paper was not found in any repository; the policy of its publisher is unknown or unclear.
This paper was not found in any repository; the policy of its publisher is unknown or unclear.

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Abstract

En la presente Tesis Doctoral se investiga, desde un punto de vista teórico, procesos de transferencia de carga y/o energía inducida por la luz en distintos sistemas biológicos. En concreto se estudian tres procesos paradigmáticos: la transferencia de carga en la fotosíntesis, la fotofísica y fotorreactividad de las bases nitrogenadas del DNA y el proceso de fotoisomerización del cromóforo de la Rodopsina, desencadenante de la visión. La metodología empleada para la realización de estos estudios es principalmente la CASPT2//CASSCF, una herramienta químico-cuántica especialmente adecuada para el tratamiento de los estados moleculares excitados, debido a su carácter multiconfiguracional. ; This Doctoral Thesis investigates, from a theoretical point of view, charge and energy transfer processes in biological systems that are induced by light. In particular, three paradigmatic processes are studied: the charge transfer in photosynthesis, photophysics and photoreactivity of DNA nucleobases and the photoisomerization of the chromophore of Rhodopsin, which is the first step in the vision process. These studies has been carried out by using CASPT2//CASSCF methodology, a quantum chemistry tool very useful for the study of excited molecular states due to their multiconfigurational character.