Understanding the Spectroscopic Properties of the Photosynthetic Reaction Center of Rhodobacter sphaeroides by a Combined Theoretical Study of Absorption and Circular Dichroism Spectra
journal contributionposted on 30.07.2009 by Yanliang Ren, Wei Ke, Yongjian Li, Lingling Feng, Jian Wan, Xin Xu
Any type of content formally published in an academic journal, usually following a peer-review process.
In the present study, we calculate eight low-lying (1.3−1.7 eV energy region) electronic excited states in well accordance with the absorption and CD spectroscopic properties of PSRC from Rb. shpaeroides by using time-dependent density functional theory (TDDFT). Our present calculations demonstrate that, only when the interactions among the prosthetic groups have been taken into account, a set of satisfactory assignments for both absorption and CD spectra of PSRC from Rb. sphaeroides can be achieved simultaneously.