Počet záznamů: 1

Energy barriers between H-bonded and stacked structures of 9-methyladenine...1-methylthymine and 9-methylguanine...1-methylcytosine complexes

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    0338231 - BTO-N 2010 RIV GB eng J - Článek v odborném periodiku
    Černý, Jiří - Hobza, Pavel
    Energy barriers between H-bonded and stacked structures of 9-methyladenine...1-methylthymine and 9-methylguanine...1-methylcytosine complexes.
    Chemical Communications. Roč. 46, č. 3 (2010), s. 383-385 ISSN 1359-7345
    Grant CEP: GA MŠk LC512
    Výzkumný záměr: CEZ:AV0Z50520701; CEZ:AV0Z40550506
    Klíčová slova: DENSITY-FUNCTIONAL THEORY * BASE-PAIRS * AB-INITIO
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 5.787, rok: 2010

    The transition structures (TS) between H-bonded (H) and stacked (S) structures of 9-methyladenine...1-methylthymine and 9-methylguanine...1-methylcytosine base pairs were localized at the DFT-D/TZVP potential energy surface. The energy barrier between the S and TS structures is considerably higher for the former pair than for the latter, which makes localization of the stacked structure of this pair possible
    Trvalý link: http://hdl.handle.net/11104/0182067
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