Density functional theories study of the interactions between host β-Cyclodextrin and guest 8-Anilinonaphthalene-1-sulfonate: Molecular structure, HOMO, LUMO, NBO, QTAIM and … H Safia, L Ismahan, G Abdelkrim, C Mouna, N Leila, M Fatiha Journal of Molecular Liquids 280, 218-229, 2019 | 48 | 2019 |
Investigation of intermolecular interactions in inclusion complexes of pyroquilon with cucurbit [n] urils (n= 7, 8) using DFT-D3 correction dispersion D Imane, N Leila, M Fatiha, G Abdelkrim, C Mouna, L Ismahan, ... Journal of Molecular Liquids 309, 113233, 2020 | 23 | 2020 |
Interactions in inclusion complex of β-cyclodextrin/l-Metheonine: DFT computational studies M Nora, L Ismahan, G Abdelkrim, C Mouna, N Leila, M Fatiha, B Nada, ... Journal of Inclusion Phenomena and Macrocyclic Chemistry 96, 43-54, 2020 | 23 | 2020 |
Molecular modeling study of structures, Hirschfield surface, NBO, AIM, RDG, IGM and 1HNMR of thymoquinone/hydroxypropyl-β-cyclodextrin inclusion complex from QM calculations K Rayene, D Imane, B Abdelaziz, N Leila, M Fatiha, G Abdelkrim, ... Journal of Molecular Structure 1249, 131565, 2022 | 22 | 2022 |
Computational study of inclusion complex of l-Glutamine/beta-Cycldextrin: Electronic and intermolecular interactions investigations L Ismahan, N Leila, M Fatiha, G Abdelkrim, C Mouna, B Nada, H Brahim Journal of Molecular Structure 1206, 127740, 2020 | 21 | 2020 |
A DFT study of inclusion complexes of the antituberculosis drugs pyrazinamide and isoniazid with cucurbit [7] uril M Cheriet, F Madi, L Nouar, I Lafifi, S Himri, N Merabet, D Khatmi Journal of Inclusion Phenomena and Macrocyclic Chemistry 89 (1), 127-136, 2017 | 10 | 2017 |
Theoretical investigation of inclusion complex of 2-methyl mercapto phenothiazine with hydroxy propyl β-cyclodextrin by DFT approaches Y Mezari, L Nouar, F Madi, A Guendouzi, I Djellala, I Lafifi, R Merdes, ... Chem. Comm 53, 196-210, 2021 | 7 | 2021 |
La Réaction de Tautomérisation: Aspect Théorique I LAFIFI | | 2014 |
Theoretical Investigation of the Intramolecular H-Bonding on Tautomerism I Lafifi, D Khatmi Advances in Quantum Chemistry 68, 257-268, 2014 | | 2014 |