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Assignment of the Qy Absorption Spectrum of Photosystem-I from Thermosynechococcus elongatus Based on the CAM-B3LYP Calculations at the PW91-Optimized Protein Structure

Yin, Shiwe; Dahlbom, Mats; Canfield, Peter; Hush, Noel S; Kobayashi, Rika; Reimers, Jeffrey R


The Qy absorption spectrum of Photosystem-I from Thermosynecochoccus elongatus (formerly Synecochoccus elongatus) is calculated using the CAM-B3LYP density functional and INDO schemes based on a quantummechanically refined structure for the entire photosystem obtained using the PW91 density functional. These methods present a priori predictions of the absorption and linear dichroism spectra and include protein electrostatic effects, short range inductive effects, long-range and short-range...[Show more]

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
Source: Journal of Physical Chemistry B
DOI: 10.1021/jp070030p


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