Počet záznamů: 1

Intramolecular Proton Transfer in Calixphyrin Derivatives

  1. 1.
    0343343 - UOCHB-X 2011 RIV US eng J - Článek v odborném periodiku
    Horníček, Jan - Dvořáková, H. - Bouř, Petr
    Intramolecular Proton Transfer in Calixphyrin Derivatives.
    Journal of Physical Chemistry A. Roč. 114, č. 10 (2010), s. 3649-3654 ISSN 1089-5639
    Grant CEP: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: porphyrins * calixphyrin * hydrogen transfer * potential energy surface
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.732, rok: 2010

    The intramolecular motion of the internal acidic hydrogen atoms in calixphyrin compounds was studied using quantum chemical methods. Generalized coordinates were used to reduce the dimension of the problem. Calculated transition energy barriers agreed with NMR data.
    Trvalý link: http://hdl.handle.net/11104/0005910