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    Université de Fribourg

    A study of the photophysical and photochemical properties of metal complexes using density functional theory

    Buchs, Matthieu ; Daul, Claude (Dir.) ; Schläpfer, Carl-Wilhelm (Codir.) ; Weber, Jacques (Codir.)

    Thèse de doctorat : Université de Fribourg, 2001 ; no 1332.

    The first objective of this thesis is the calculation of excited state energies and properties of transition metal complexes using Density Functional Theory (DFT). To explore this wide topic, we did choose three different chemical systems. The first one, presented in the chapter 4, is about the photodissociation of the tris(2,2’- bipyridine)ruthenium(II) ([Ru(bpy)3]2+) ion. Over the last two...