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

I. V. Polyakov 1
, 
M. G. Khrenova 1
, 
A A Moskovskii 1
, 
P N Telegin 2
, 
J.-P. Zhang 3
, 
A. V. Nemukhin 1
1
 
2
 
Joint Supercomputer Center, Russian Academy of Sciences, Moscow, Russia | 
3
 
Publication type: Journal Article
Publication date: 2017-05-01
scimago Q4
wos Q4
SJR: 0.153
CiteScore: 1.1
Impact factor: 0.5
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.
Found 

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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.
GOST all authors (up to 50) Copy
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 - http://link.springer.com/10.3103/S0027131417030051
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
PB - Allerton Press
SP - 111-114
IS - 3
VL - 72
SN - 0027-1314
SN - 1935-0260
ER -
BibTex |
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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 = {Allerton Press},
month = {may},
url = {http://link.springer.com/10.3103/S0027131417030051},
number = {3},
pages = {111--114},
doi = {10.3103/S0027131417030051}
}
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. http://link.springer.com/10.3103/S0027131417030051.