Comparison of calculated and experimental isotope edited FTIR difference spectra for purple bacterial photosynthetic reaction centers with different quinones incorporated into the QA binding site.

Previously we have shown that ONIOM type (QM/MM) calculations can be used to simulate isotope edited FTIR difference spectra for neutral ubiquinone in the QA binding site in Rhodobacter sphaeroides photosynthetic reaction centers. Here we considerably extend upon this previous work by calculating i...

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Bibliografski detalji

Glavni autori:	Nan eZhao, Hari P Lamichanne, Gary eHastings
Format:	Artigo
Jezik:	Inglês
Izdano:	Frontiers Media S.A. 2013-08-01
Serija:	Frontiers in Plant Science
Teme:	density functional theory (DFT) calculations QA quinone FTIR ONIOM reaction center.
Online pristup:	http://journal.frontiersin.org/Journal/10.3389/fpls.2013.00328/full
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