Yazar "Ben Mohamed, F. E." için listeleme
-
Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations
Gassoumi, B.; Echabaane, M.; Ben Mohamed, F. E.; Nouar, L.; Madi, F.; Karayel, Arzu; Ben Chaabane, R. (Pergamon-Elsevier Science Ltd, 2022)In this work, the structures, quantum chemical descriptors, morphologic characterization of the azomethoxy-calix[4]arene were investigated. The analyses and interpretation of the theoretical and the experimental IR ... -
In silico exploration of O-H center dot center dot center dot X2+ (X = Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix[6]arene and calix[8]arene as model
Gassoumi, B.; Ben Mohamed, F. E.; Castro, M. E.; Melendez, F. J.; Karayel, Arzu; Nouar, L.; Ben Ouada, H. (Elsevier, 2021)In this work, the best adsorption targeted zones of the metal cations Ag2+, Cu2+ and Hg2+ at the surfaces or inside, outside the cavity of the calix[6] (CX[6]), calix[8]arene (CX[8]), NUBMOM (NUB-.) and LAYKUR (LAY-.) have ... -
Theoretical assessment of calix[4]arene-N-beta-ketoimine (n=1-4) derivatives: Conformational studies, optoelectronic, and sensing of Cu(2+)cation
Gassoumi, B.; Ben Mohamed, F. E.; Khedmi, N.; Karayel, Arzu; Echabaane, M.; Ghalla, H.; Ben Chaabane, R. (Springer, 2021)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 intuitive understanding ...
