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    Article

    Molecular Mechanics Studies of Montmorillonite Intercalated with Tetramethylammonium and Trimethylphenylammonium

    The intercalation of organoammonium cations into smectite structure is the important step in the technology of non-linear optical materials. In this study we investigated the structure of montmorillonite (MMT)...

    Daniel Janeba, Pavla Čapková, Zdeněk Weiss in Molecular modeling annual (1998)

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    Article

    Molecular Mechanics Simulations in Structure Analysis of Intercalate VOPO4·2CH3CH2OH

    Molecular mechanics simulations using Cerius2 combined with X-ray diffraction and supported with vibrational spectroscopy have been used to investigate the layered structure of vanadyl phosphate VOPO4 intercalate...

    Pavla Čapková, Daniel Janeba, Ludvík Beneš, Klára Melánová… in Molecular modeling annual (1998)