title: Understanding the spectroscopic properties of the photosynthetic reaction center of Rhodobacter sphaeroides by a combined theoretical study of absorption and circular dichroism spectra.
abstract: 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.
authors: Key Laboratory of Pesticide & Chemical Biology (CCNU), Ministry of Education and Department of Chemistry, Central China Normal University, Wuhan 430079, China.
authors: Yanliang
authors: Y
authors: Ren
authors: Wei
authors: W
authors: Ke
authors: Yongjian
authors: Y
authors: Li
authors: Lingling
authors: L
authors: Feng
authors: Jian
authors: J
authors: Wan
authors: Xin
authors: X
authors: Xu
mesh_terms: D000042:Absorption; D002942:Circular Dichroism; D004583:Electrons; D008958:Models, Molecular; D045322:Photosynthetic Reaction Center Complex Proteins / Q000737:chemistry* / Q000378:metabolism*; D011487:Protein Conformation; D011789:Quantum Theory; D012242:Rhodobacter sphaeroides / Q000201:enzymology*; D013997:Time Factors
chemical_list: D045322:Photosynthetic Reaction Center Complex Proteins