Understanding the Spectroscopic Properties of the Photosynthetic Reaction Center of Rhodobacter sphaeroides by a Combined Theoretical Study of Absorption and Circular Dichroism Spectra

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	Understanding the Spectroscopic Properties of the Photosynthetic Reaction Center of Rhodobacter sphaeroides by a Combined Theoretical Study of Absorption and Circular Dichroism Spectra
	Ren, Yanliang ; Ke, Wei ; Li, Yongjian ; Feng, Lingling ; Wan, Jian ; Xu, Xin ; Xu X(徐昕)
刊名	http://dx.doi.org/10.1021/jp903386z
	2009-07-30
关键词	DENSITY-FUNCTIONAL-THEORY ELECTRON-TRANSFER MECHANISM RHODOPSEUDOMONAS-VIRIDIS EXCITED-STATES SAC-CI PHYCOCYANIN MOLECULES
英文摘要	National Basic Research Program of China [2007CB116302, 2007CB815206]; Natural Science Foundation of China [20672041, 20873049, 20525311, 10774126]; Program for New Century Excellent Talents in University of China [NCET-06-0673]; China National Technology; 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 arnong 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.
语种	英语
出版者	J PHYS CHEM B
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/88411]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Ren, Yanliang,Ke, Wei,Li, Yongjian,et al. Understanding the Spectroscopic Properties of the Photosynthetic Reaction Center of Rhodobacter sphaeroides by a Combined Theoretical Study of Absorption and Circular Dichroism Spectra[J]. http://dx.doi.org/10.1021/jp903386z,2009.
APA	Ren, Yanliang.,Ke, Wei.,Li, Yongjian.,Feng, Lingling.,Wan, Jian.,...&徐昕.(2009).Understanding the Spectroscopic Properties of the Photosynthetic Reaction Center of Rhodobacter sphaeroides by a Combined Theoretical Study of Absorption and Circular Dichroism Spectra.http://dx.doi.org/10.1021/jp903386z.
MLA	Ren, Yanliang,et al."Understanding the Spectroscopic Properties of the Photosynthetic Reaction Center of Rhodobacter sphaeroides by a Combined Theoretical Study of Absorption and Circular Dichroism Spectra".http://dx.doi.org/10.1021/jp903386z (2009).