Modeling of the structure and electronic spectra of green fluorescent protein chromophore
Publication type: Journal Article
Publication date: 2008-10-01
scimago Q4
SJR: 0.244
CiteScore: 2.6
Impact factor: —
ISSN: 19907931, 19907923
Physical and Theoretical Chemistry
Abstract
The structure and electronic absorption spectra of a model green fluorescent protein chromophore were studied in the neutral, cationic, and anionic forms in the isolated state. The energies of S0-S1 vertical transitions were calculated using a new method based on a modified multiconfiguration quasi-degenerate perturbation theory (aug-MCQDPT2). This method was used to obtain quantitative estimates of S0-S1 vertical transition energies for chromophores in the isolated state, 2.54, 3.12, and 3.11 eV (the experimental values were 2.59, 3.05, and 2.99 eV) for the anionic, cationic, and neutral forms, respectively.
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GOST
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Bravaya K. B. et al. Modeling of the structure and electronic spectra of green fluorescent protein chromophore // Russian Journal of Physical Chemistry B. 2008. Vol. 2. No. 5. pp. 671-675.
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Bravaya K. B., Bochenkova A. V., Granovskii A. A., Nemukhin A. V. Modeling of the structure and electronic spectra of green fluorescent protein chromophore // Russian Journal of Physical Chemistry B. 2008. Vol. 2. No. 5. pp. 671-675.
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RIS
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TY - JOUR
DO - 10.1134/S1990793108050023
UR - http://link.springer.com/10.1134/S1990793108050023
TI - Modeling of the structure and electronic spectra of green fluorescent protein chromophore
T2 - Russian Journal of Physical Chemistry B
AU - Bravaya, K B
AU - Bochenkova, A V
AU - Granovskii, A A
AU - Nemukhin, A. V.
PY - 2008
DA - 2008/10/01
PB - Pleiades Publishing
SP - 671-675
IS - 5
VL - 2
SN - 1990-7931
SN - 1990-7923
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2008_Bravaya,
author = {K B Bravaya and A V Bochenkova and A A Granovskii and A. V. Nemukhin},
title = {Modeling of the structure and electronic spectra of green fluorescent protein chromophore},
journal = {Russian Journal of Physical Chemistry B},
year = {2008},
volume = {2},
publisher = {Pleiades Publishing},
month = {oct},
url = {http://link.springer.com/10.1134/S1990793108050023},
number = {5},
pages = {671--675},
doi = {10.1134/S1990793108050023}
}
Cite this
MLA
Copy
Bravaya, K. B., et al. “Modeling of the structure and electronic spectra of green fluorescent protein chromophore.” Russian Journal of Physical Chemistry B, vol. 2, no. 5, Oct. 2008, pp. 671-675. http://link.springer.com/10.1134/S1990793108050023.