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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

  • Czech description

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

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

  • 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