Normal modes and the Duschinsky mixing of the ground- and excited-state vibrations of the green fluorescent protein chromophore
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F13%3A00399792" target="_blank" >RIV/61388963:_____/13:00399792 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.cplett.2013.09.040" target="_blank" >http://dx.doi.org/10.1016/j.cplett.2013.09.040</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cplett.2013.09.040" target="_blank" >10.1016/j.cplett.2013.09.040</a>
Alternative languages
Result language
angličtina
Original language name
Normal modes and the Duschinsky mixing of the ground- and excited-state vibrations of the green fluorescent protein chromophore
Original language description
Ground-and excited-state vibrational frequencies were calculated for the chromophore of the green fluorescent protein (GFP) using the complete active space self-consistent field (CASSCF) method and detailed normal-mode analyses were carried out for ground and excited states. The mixing of the vibrational modes between the different states was studied by applying the Duschinsky effect by the expressing excited-state normal modes in terms of the ground-state normal modes. It was found that the low-frequency vibrational modes in the vertical excited state play a significant role in structural adjustment.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GBP208%2F12%2FG016" target="_blank" >GBP208/12/G016: Controlling structure and function of biomolecules at the molecular scale: theory meets experiment</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical Physics Letters
ISSN
0009-2614
e-ISSN
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Volume of the periodical
587
Issue of the periodical within the volume
NOV 5
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
61-67
UT code for WoS article
000326104500012
EID of the result in the Scopus database
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