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Balance of attraction and repulsion in nucleic-acid base stacking: CCSD(T)/complete-basis-set-limit calculations on uracil dimer and a comparison with the force-field description

  1. 1.
    SYSNO0326978
    TitleBalance of attraction and repulsion in nucleic-acid base stacking: CCSD(T)/complete-basis-set-limit calculations on uracil dimer and a comparison with the force-field description
    TitleRovnováha přitahování a odpuzování při stackingu bází nukleových kyselin: CSSD(T)/kompletní-basis limit set výpočty dimerů uracilu a srovnání s popisem pomocí silového pole
    Author(s) Morgado, C.A. (CL)
    Jurečka, P. (CZ)
    Svozil, Daniel (BFU-R)
    Hobza, Pavel (UOCHB-X) RID, ORCID
    Šponer, Jiří (BFU-R) RID, ORCID
    Source Title Journal of Chemical Theory and Computation . Roč. 5, č. 6 (2009), s. 1524-1544. - : American Chemical Society
    Document TypeČlánek v odborném periodiku
    Grant IAA400040802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR), CZ - Czech Republic
    IAA400550701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR), CZ - Czech Republic
    LC06030 GA MŠMT - Ministry of Education, Youth and Sports (MEYS), CZ - Czech Republic
    GA203/09/1476, CZ - Czech Republic
    CEZAV0Z50040507 - BFU-R (2005-2011)
    AV0Z50040702 - BFU-R (2007-2013)
    AV0Z40550506 - UOCHB-X (2005-2011)
    Languageeng
    CountryUS
    Keywords quantum chemical calculations * nucleic acids * force field
    Permanent Linkhttp://hdl.handle.net/11104/0173894
     
Number of the records: 1  

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