Modeling mechanisms of hydron transfer in the condensed phase.

Neil A. Burton, Raman Sharma, Sara Nunez, Gary Tresadern, Ian H. Hillier

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    Abstract

    Hydron transfers, particularly of protons, are perhaps the most common reactions in nature and their mechanisms are of fundamental importance in chem. This paper will discuss recent hybrid and quantum mech. computational studies which have been employed to understand the novel catalytic tunnelling mechanisms now evident in enzymes and to model exptl. intramol. mimics in the aq. phase. [on SciFinder (R)]
    Original languageEnglish
    Title of host publicationAbstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004
    Publication statusPublished - 2004

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