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Browsing by Author "Murray, Jane S."

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    No Boundaries and Naturally-Defined Boundaries Obtained via the Electrostatic Potential

    Roos, Goedele
    ;
    Vanpoucke, Danny  
    ;
    Murray, Jane S.
    Journal article
    2025, CHEMPHYSCHEM, (26) 7, p.e202401065
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    Quantifying water hydrogen bonding from the surface electrostatic potential at varying iso-density contours

    Roos, Goedele
    ;
    Vanpoucke, Danny  
    ;
    Blossey, Ralf
    ;
    Lensink, Marc F.
    ;
    Murray, Jane S.
    Journal article
    2025, JOURNAL OF CHEMICAL PHYSICS, (163) 11, p.114112

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