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Browsing by Author "Beenken, Wichard"

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    Molecular structures and absorption spectra assigment of corrole NH tautomers

    Beenken, Wichard
    ;
    Presselt, Martin
    ;
    Ngo, Thien H.
    ;
    Dehaene, Wim  
    ;
    Maes, Wouter  
    ;
    Kruk, Mikalai
    Journal article
    2014, Journal of Physical Chemistry A, 118, p.862-871
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    Origin of the individual basicity of rorrole NH-tautomers: A quantum chemical study o molecular structure and dynamics, kientics, and thermodynamics

    Beenken, Wichard
    ;
    Maes, Wouter  
    ;
    Kruk, Mikalai
    ;
    Martinez, Todd
    ;
    Presselt, Martin
    Journal article
    2015, Journal of Physical Chemistry A, (119) 26, p.6875-6883

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