Publications by authors named "S Gueddida"

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Ab initio study of spin-crossover mechanism in Fe(II) complexes with thiazole-based chelating ligands using density functional theory.
Koussai Lazaar, Fatma Aouaini, Beriham Basha, Saber Gueddida

J Mol Model· November 2025

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Theoretical study of the catalytic hydrodeoxygenation of furan, methylfuran and benzofurane on MoS.
Wilfried G Kanhounnon, Saber Gueddida, Simplice Koudjina, Frédéric Richard, Guy Y S Atohoun

RSC Adv· July 2024

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Band gap, Jahn-Teller deformation, octahedra rotation in transition metal perovskites LaTiO .
F Pascale, S Gueddida, K Doll, R Dovesi

J Comput Chem· April 2024

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Tuning the electronic and optical properties of small organic acenedithiophene molecular crystals for photovoltaic applications: First principles calculations.
Koussai Lazaar, Saber Gueddida, Moncef Said, Sébastien Lebègue

J Chem Phys· November 2023

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Binuclear spin-crossover [Fe(bt)(NCS)](bpm) complex: A study using first principles calculations.
Koussai Lazaar, Fatma Aouaini, Saber Gueddida

J Chem Phys· April 2023

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