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Ab initio calculation of electronic coupling in the photosynthetic reaction center

We have carried out an ab initio electronic structure calculations of electron transfer couplings between chromophores in the bacterial photosynthetic reaction center. The couplings agree remarkably well with parameters obtained from recent quantum dynamical modeling of experimental data assuming an...

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Autors principals: Zhang, Linda Yu, Friesner, Richard A.
Format: Artigo
Idioma:Inglês
Publicat: The National Academy of Sciences 1998
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC24865/
https://ncbi.nlm.nih.gov/pubmed/9811846
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