Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triad
We present a study on the electronic structure of a biology-inspired molecular triad which shows promises in replicating photosynthesis process in the laboratory. The triad contains three different units - \C60, porphyrin and beta-carotenoid. We present its geometrical and electronic structure, dipole moments, optical absorption spectrum and its polarizability calculated with an all-electron density functional approach. Such a study will be useful for further understanding of its photo-conversion properties.
Tunna Baruah. " Density functional study on a light-harvesting carotenoid-porphyrin-C60 molecular triad" Journal of Chemical Physics (2007).
Available at: http://works.bepress.com/tunna_baruah/2
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