TY - JOUR
T1 - Intermolecular electron transfer and exchange integrals in photosystem I
AU - Petrenko, Alexander
AU - Redding, Kevin
N1 - Funding Information:
This work was supported by an Energy Biosciences Grant (DE-FG02-00ER15097) to K.R. from the Department of Energy and an NSF CAREER award (MCB-0347935).
PY - 2004/12/11
Y1 - 2004/12/11
N2 - On the basis of ab initio molecular orbital calculations of individual cofactor molecules, we have obtained estimations of intermolecular electron transfer and spin-exchange integrals between cofactor molecules in photosystem I. These calculations are based on the spatial arrangement of the cofactor molecules in photosystem I of Thermosynechococcus elongatus. The results of these calculations are used in discussion of the influence of the protein environment upon interactions between cofactor molecules in the early stages of electron transfer and directionality of photo-induced electron transfer in photosystem I.
AB - On the basis of ab initio molecular orbital calculations of individual cofactor molecules, we have obtained estimations of intermolecular electron transfer and spin-exchange integrals between cofactor molecules in photosystem I. These calculations are based on the spatial arrangement of the cofactor molecules in photosystem I of Thermosynechococcus elongatus. The results of these calculations are used in discussion of the influence of the protein environment upon interactions between cofactor molecules in the early stages of electron transfer and directionality of photo-induced electron transfer in photosystem I.
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U2 - 10.1016/j.cplett.2004.10.096
DO - 10.1016/j.cplett.2004.10.096
M3 - Article
AN - SCOPUS:9744235122
SN - 0009-2614
VL - 400
SP - 98
EP - 103
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -