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  1. No Access

    Article

    Theoretical assessment of calix[4]arene-N-β-ketoimine (n=1–4) derivatives: Conformational studies, optoelectronic, and sensing of Cu2+cation

    Herein, we have investigated the key functions of the calix[4]arene, abbreviated as CX [1], and designed its several derivatives by substitution of the functional groups. Molecular geometry provides an intuiti...

    B. Gassoumi, F. E. Ben Mohamed, N. Khedmi, A. Karayel… in Journal of Molecular Modeling (2021)

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    Article

    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)

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    Article

    Optical and electrical properties of novel peripherally tetra and mono -quinoleinoxy substituted metallophtalocyanines

    Two new Zinc phtalocyanine, ZnPcR1 and ZnPcR4, with peripheral mono and tetra quinoleinoxy substituents of the phtalocyanine ring, were characterized to investigate their optical and electrical properties. The mo...

    I. Zahou, R. Ben Chaabane, R. Mlika… in Journal of Materials Science: Materials in… (2014)