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Zawartość zarchiwizowana w dniu 2024-06-10

Electronic transitions in the photosyntetic reaction center

Cel



This proposal is concerned with the characterization of electronic transitions in the Photosyntetic Reaction Center (RC). By means of combined Molecular Dynamics (MD) and spin-boson approach we plan to compute the band profile for the electron transfer relevant electronic transitions of the pigments in the RC. For a few eletronic states we shall use classical MD to compute the energy gap functions, using available semiempirical and/or ab initio model for the excited and ground states. In the framework of the simple spin-boson model, the MD computed energy gap function can be straightforwardly related to the electronic spectrum. Simulations will be carrid out using the untruncated Coulomb potential. A similar task can now be feasibly undertaken using the novel multiple time step algorithms. The use of the 'exact' Coulomb potential represents a major step forward in the simulation of biological systems. We will investigate the effect of the environment (protein units, solvents and neighboring chromophores) on the energy gap functions (and thus on the electronic band profile). In thiS fashion we hope to gain insights, at the atomistic level in the mechanism which drives electron transfer in the photosyntetic RC.

Dziedzina nauki (EuroSciVoc)

Program(-y)

Temat(-y)

Zaproszenie do składania wniosków

Brak dostępnych danych

System finansowania

RGI - Research grants (individual fellowships)

Koordynator

ECOLE NORMALE SUPERIEURE DE LYON
Wkład UE
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Adres
Allee d'Italie 45-47
69364 LYON
Francja
Koszt całkowity
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Uczestnicy (1)