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    Physicochemical properties of the three-cavity form of calix[n = 4, 6, 8]aren molecules: DFT investigation

    The shape, size and diameter of the cavities are one of the main factors which control the interactions of the calix[n]arene molecules with cation, anion or neutral guests in sensor applications. In this work, vi...

    B. Gassoumi, M. Chaabene, H. Ghalla, R. Ben Chaabane in Theoretical Chemistry Accounts (2019)