| 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 | 56 | 2019 |
| Computational study of inclusion complex formation between carvacrol and β-cyclodextrin in vacuum and in water: Charge transfer, electronic transitions and NBO analysis L Abdelmalek, M Fatiha, N Leila, C Mouna, M Nora, K Djameleddine Journal of Molecular Liquids 224, 62-71, 2016 | 36 | 2016 |
| 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 | 33 | 2020 |
| Density functional study of inclusion complex of Albendazole/cucurbit [7] uril: Structure, electronic properties, NBO, GIAO and TD-DFT analysis M Nora, M Fatiha, N Leila, H Sakina, K DjamelEddine Journal of Molecular Liquids 211, 40-47, 2015 | 33 | 2015 |
| 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 | 31 | 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 | 28 | 2020 |
| Host-guest interaction between tyrosine and β-cyclodextrin: Molecular modeling and nuclear studies A Bouhadiba, Y Belhocine, M Rahim, I Djilani, L Nouar, DE Khatmi Journal of Molecular Liquids 233, 358-363, 2017 | 28 | 2017 |
| 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 | 27 | 2020 |
| Driving forces and electronic structure in β-cyclodextrin/3, 3′-diaminodiphenylsulphone complex M Rahim, F Madi, L Nouar, A Bouhadiba, S Haiahem, DE Khatmi, ... Journal of Molecular Liquids 199, 501-510, 2014 | 27 | 2014 |
| Host-guest inclusion complex between β-cyclodextrin and paeonol: A theoretical approach S Haiahem, L Nouar, I Djilani, A Bouhadiba, F Madi, DE Khatmi Comptes Rendus. Chimie 16 (4), 372-379, 2013 | 27 | 2013 |
| Theoretical study of inclusion complexation of 3-amino-5-nitrobenzisothiazole with β-cyclodextrin N Leila, H Sakina, A Bouhadiba, F Madi Journal of Molecular Liquids 160 (1), 8-13, 2011 | 26 | 2011 |
| Molecular docking study on β-cyclodextrin Interactions of metobromuron and [3-(p-bromophenyl)-1-methoxy-1-methylurea] H Sakina, B Abdelaziz, N Leila, D Imene, M Fatiha, KD Eddine Journal of Inclusion Phenomena and Macrocyclic Chemistry 74 (1), 191-200, 2012 | 23 | 2012 |
| Azo-methoxy-calix [4] arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT-computations B Gassoumi, M Echabaane, FEB Mohamed, L Nouar, F Madi, A Karayel, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 264, 120242, 2022 | 22 | 2022 |
| Molecular modeling investigation of para-nitrobenzoic acid interaction in β-cyclodextrin N Leila, H Sakina, A Bouhadiba, M Fatiha, L Leila Journal of Molecular Liquids 160 (1), 1-7, 2011 | 22 | 2011 |
| DFT investigation of host–guest interactions between α-Terpineol and β-cyclodextrin H Bouchemela, F Madi, L Nouar Journal of Inclusion Phenomena and Macrocyclic Chemistry 95 (3), 247-258, 2019 | 20 | 2019 |
| A novel and water-soluble material for coronavirus inactivation from oseltamivir in the cavity of methyl and sulfated-β-cyclodextrins through inclusion complexation R Rajamohan, S Mohandoss, S Ashokkumar, F Madi, N Leila, ... Journal of Pharmaceutical and Biomedical Analysis 221, 115057, 2022 | 19 | 2022 |
| Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into β-cyclodextrin using dispersion-corrected DFT calculations A Bouhadiba, S Rahali, Y Belhocine, H Allal, L Nouar, M Rahim Carbohydrate research 491, 107980, 2020 | 19 | 2020 |
| Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of … B Gassoumi, A Mehri, H Hammami, ME Castro, A Karayel, S Özkınalı, ... Materials Chemistry and Physics 278, 125555, 2022 | 18 | 2022 |
| Computational investigation of vanillin@ βéta-cyclodextrin inclusion complex: Electronic and intermolecular analysis G Meryem, K Rabah, M Fatiha, N Leila, BA Aziz, D Imane, M Rachid Journal of Molecular Liquids 321, 114839, 2021 | 18 | 2021 |
| Theoretical study of the inclusion processes of ethyl p-hydroxybenzoate with β-cyclodextrin: PM3MM and ONIOM2 calculations M Fatiha, L Leila, N Leila, KD Eddine Journal of the Taiwan Institute of Chemical Engineers 43 (6), 868-872, 2012 | 18 | 2012 |
