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Simulation of vibrational spectra of large molecules by arbitrary time propagation

  1. 1.
    SYSNO0326807
    TitleSimulation of vibrational spectra of large molecules by arbitrary time propagation
    Author(s) Kubelka, J. (US)
    Bouř, Petr (UOCHB-X) RID, ORCID
    Source Title Journal of Chemical Theory and Computation . Roč. 5, č. 1 (2009), s. 200-207. - : American Chemical Society
    Document TypeČlánek v odborném periodiku
    Grant GA203/06/0420 GA ČR - Czech Science Foundation (CSF)
    GA202/07/0732 GA ČR - Czech Science Foundation (CSF)
    IAA400550702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
    CEZAV0Z40550506 - UOCHB-X (2005-2011)
    Languageeng
    CountryUS
    Keywords vibrational spectra * harmonic approximation * Fourier techniques
    Permanent Linkhttp://hdl.handle.net/11104/0173800
     
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