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.

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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Bibliographic Details
Main Authors: Nan eZhao, Hari P Lamichanne, Gary eHastings
Format: Article
Language:English
Published: Frontiers Media S.A. 2013-08-01
Series:Frontiers in Plant Science
Subjects:
density functional theory (DFT) calculations
QA
quinone
FTIR
ONIOM
reaction center.
Online Access:http://journal.frontiersin.org/Journal/10.3389/fpls.2013.00328/full

Internet

http://journal.frontiersin.org/Journal/10.3389/fpls.2013.00328/full

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