Výsledky vyhledávání - "Zouhaier Aloui"

Akademický článek

Synthesis, crystal structure and Hirshfeld surface analysis of a polymeric bismuthate(III) halide complex, (C6H6N3)2[BiCl5]·2H2O

Autor: Chaima Boukoum, Zouhaier Aloui, Valeria Ferretti, Sonia Abid

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 11, Pp 1759-1763 (2017)

The synthesis and the crystal structure of a new halide-bridged polymer, namely catena-poly[bis(1,2,3-benzotriazolium) [[tetrachloridobismuth(III)]-μ-chlorido] dihydrate], {(C6H6N3)2[BiCl5]·2H2O}n are reported. The structure comprises polyanionic z

Externí odkaz: https://doaj.org/article/ec304803d8c3458fb6358aba344fb82e

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A Systematic and Comparative Analysis of Four Major Classes of DFT Functionals to Compute Linear and Nonlinear Optical Properties of Benchmark Molecules

Autor: Zouhaier Aloui, Mazhar Amjad Gilani, Shabbir Muhammad, Muhammad Adnan, Alina Waheed

Publikováno v: Journal of Computational Biophysics and Chemistry. 20:517-528

This study spotlights the fundamental insights about the systematic and comparative analysis of four famous hybrid classes of density functional theory (DFT) methods and their efficacy to calculate the linear and nonlinear optical (NLO) polarizabilit

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::229c28fd0d91756fb349d2bfbcbcc77f
https://doi.org/10.1142/s2737416521500307

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Synthesis, crystallographic structure, DFT computational studies and Hirschfeld surface analysis of a new tetranuclear anionic bromobismuthate(III): [C12H20N2]2Bi4Br16•2H2O

Autor: Giuseppe Bruno, Manel Essid, Sonia Abid, Zouhaier Aloui, Antonio Santoro, Chayma Ounalli

Publikováno v: Journal of Molecular Structure. 1243:130916

This present research makes in attention the synthesis of an organic inorganic hybrid compound with new tetranuclear anionic bromobismuthates with formula: [C12H20N2]2Bi4Br16•2H2O by slow evaporation at room temperature. It is characterized by X-ra

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ba092747c2b5777018293781e0371dfe
https://doi.org/10.1016/j.molstruc.2021.130916

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Electro-optical and charge transport properties of chalcone derivatives using a dual approach from molecule to material level simulations

Autor: Rao Aqil Shehzad, Aijaz Rasool Chaudhry, Shabbir Muhammad, Hong-Liang Xu, Javed Iqbal, Zouhaier Aloui, Muhammad Khalid, Soichi Ito

Publikováno v: Computational and Theoretical Chemistry. 1203:113349

In this study, three chalcone derivatives with a basic skeleton of [1,100-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one are investigated. The basic skeleton was modified with the addition of three-terminal groups including hydrogen (1), methyl (2)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e13dd177954aefedd1842cf247c1738f
https://doi.org/10.1016/j.comptc.2021.113349

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