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Interactions of Boranes and Carboranes with Aromatic Systems: CCSD(T) Complete Basis Set Calculations and DFT-SAPT Analysis of Energy Components

  1. 1.
    SYSNO0352235
    TitleInteractions of Boranes and Carboranes with Aromatic Systems: CCSD(T) Complete Basis Set Calculations and DFT-SAPT Analysis of Energy Components
    Author(s) Sedlák, Robert (UOCHB-X) [610/61] RID
    Fanfrlík, Jindřich (UOCHB-X) [610/61] RID, ORCID
    Hnyk, Drahomír (UACH-T) SAI, RID, ORCID
    Hobza, Pavel (UOCHB-X) [610/61] RID, ORCID
    Lepšík, Martin (UOCHB-X) [640/64] RID, ORCID
    Source Title Journal of Physical Chemistry A. Roč. 114, č. 42 (2010), s. 11304-11311. - : American Chemical Society
    Document TypeČlánek v odborném periodiku
    Grant LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
    1M0508 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
    IAAX00320901 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
    CEZAV0Z40550506 - UOCHB-X (2005-2011)
    AV0Z40320502 - UACH-T (2005-2011)
    Languageeng
    CountryUS
    Keywords noncovalent complex * carborane cage * dispersion
    Permanent Linkhttp://hdl.handle.net/11104/0006193
     
Number of the records: 1  

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