Moscow University Chemistry Bulletin, volume 72, issue 3, pages 111-114
Evaluation of the Qy absorption band maximum in a light-harvesting complex of the bacterial photosynthetic center Thermochromatium tepidum
2
Joint Supercomputer Center, Russian Academy of Sciences, Moscow, Russia
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Publication type: Journal Article
Publication date: 2017-05-01
Journal:
Moscow University Chemistry Bulletin
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ISSN: 00271314, 19350260
General Chemistry
Abstract
Excitation energies of the bacteriochlorophyll (BChl) chromophores embedded in the photosynthetic light-harvesting complex of the purple bacterium Thermochromatium tepidum are computed using the time-dependent density functional theory based upon the fragmental molecular orbital (FMO-TDDFT) method. The results are correlated with the empirically based estimates of the Qy absorption maximum, as well as with the observed large red shift induced by the binding of calcium.
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Polyakov I. V. et al. Evaluation of the Qy absorption band maximum in a light-harvesting complex of the bacterial photosynthetic center Thermochromatium tepidum // Moscow University Chemistry Bulletin. 2017. Vol. 72. No. 3. pp. 111-114.
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Polyakov I. V., Khrenova M. G., Moskovskii A. A., Telegin P. N., Zhang J., Nemukhin A. V. Evaluation of the Qy absorption band maximum in a light-harvesting complex of the bacterial photosynthetic center Thermochromatium tepidum // Moscow University Chemistry Bulletin. 2017. Vol. 72. No. 3. pp. 111-114.
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TY - JOUR
DO - 10.3103/S0027131417030051
UR - https://doi.org/10.3103%2FS0027131417030051
TI - Evaluation of the Qy absorption band maximum in a light-harvesting complex of the bacterial photosynthetic center Thermochromatium tepidum
T2 - Moscow University Chemistry Bulletin
AU - Polyakov, I. V.
AU - Khrenova, M. G.
AU - Moskovskii, A A
AU - Telegin, P N
AU - Zhang, J.-P.
AU - Nemukhin, A. V.
PY - 2017
DA - 2017/05/01 00:00:00
PB - Pleiades Publishing
SP - 111-114
IS - 3
VL - 72
SN - 0027-1314
SN - 1935-0260
ER -
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@article{2017_Polyakov
author = {I. V. Polyakov and M. G. Khrenova and A A Moskovskii and P N Telegin and J.-P. Zhang and A. V. Nemukhin},
title = {Evaluation of the Qy absorption band maximum in a light-harvesting complex of the bacterial photosynthetic center Thermochromatium tepidum},
journal = {Moscow University Chemistry Bulletin},
year = {2017},
volume = {72},
publisher = {Pleiades Publishing},
month = {may},
url = {https://doi.org/10.3103%2FS0027131417030051},
number = {3},
pages = {111--114},
doi = {10.3103/S0027131417030051}
}
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MLA
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Polyakov, I. V., et al. “Evaluation of the Qy absorption band maximum in a light-harvesting complex of the bacterial photosynthetic center Thermochromatium tepidum.” Moscow University Chemistry Bulletin, vol. 72, no. 3, May. 2017, pp. 111-114. https://doi.org/10.3103%2FS0027131417030051.