Počet záznamů: 1

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging

  1. 1.
    0326802 - UOCHB-X 2010 RIV US eng J - Článek v odborném periodiku
    Dračínský, Martin - Kaminský, Jakub - Bouř, Petr
    Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.
    Journal of Chemical Physics. Roč. 130, č. 9 (2009), 094106/1-094106/13 ISSN 0021-9606
    Grant CEP: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: NMR * anharmonic forces * vibrational averaging
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 3.093, rok: 2009

    Relative importance of anharmonic corrections to molecular vibrational energies, nuclear magnetic resonance chemical shifts, and J-coupling constants was assessed for a model set of methane derivatives, differently charged alanine forms, and sugar models.
    Trvalý link: http://hdl.handle.net/11104/0173796