| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| A DFT investigation of the host–guest interactions between boron-based aromatic systems and β-cyclodextrin S Rahali, Y Belhocine, H Allal, A Bouhadiba, IM Assaba, M Seydou Structural Chemistry, 1-12, 2022 | 13 | 2022 |
| Inclusion Complex Formation of-Cyclodextrin with the Nonsteroidal Anti-Inflammatory Drug Flufenamic Acid: Computational Study Y Belhocine, A Bouhadiba, M Rahim, L Nouar, I Djilani, DE Khatmi Макрогетероциклы 11 (2), 203-209, 2018 | 13 | 2018 |
| Theoretical investigation to characterize the inclusion complex of α-lipoic acid and β-cyclodextrin I Djilani, F Madi, L Nouar, S Haiahem, M Rahim, DE Khatmi, A Bouhadiba Comptes Rendus Chimie 18 (2), 170-177, 2015 | 13 | 2015 |
| Inclusion complexes of ortho-anisidine and β-cyclodextrin: A quantum mechanical calculation D Imene, N Leila, MFH Sakina, B Abdelaziz, K DjamelEddine Comptes Rendus. Chimie 16 (8), 696-703, 2013 | 13 | 2013 |
| Computational investigation of dimethoate and β-cyclodextrin inclusion complex: molecular structures, intermolecular interactions, and electronic analysis A Benaissa, A Bouhadiba, N Naili, F Chekkal, M Khelfaoui, I Bouras, ... Structural Chemistry 34 (3), 1189-1204, 2023 | 10 | 2023 |
| Host–guest inclusion systems of vanillic acid into α-cyclodextrin: structures, electronic properties, QTAIM, NCI and IGM analyses with dispersion corrected calculations I Djellala, N Merabet, L Nouar, F Madi, A Guendouzi, A Bouhadiba Polycyclic Aromatic Compounds 44 (3), 1682-1696, 2024 | 8 | 2024 |
| Theoretical investigation of inclusion complex of 2-methyl mercapto phenothiazine with hydroxy propyl β-cyclodextrin by DFT approaches. Bulg Y Mezari, L Nouar, F Madi, A Guendouzi, I Djellala, I Lafifi, R Merdes, ... Chem. Comm 53, 196-210, 2021 | 8 | 2021 |
| Theoretical study of the inclusion processes of the phenylurea herbicide metobromuron in β-cyclodextrin. N Leila, H Sakina, B Abdelaziz, M Fatiha, LLD Fateh | 5 | 2011 |
| DFT Investigation on the Complexation of β-Cyclodextrin and Hydroxypropyl-β-Cyclodextrin as Recognition Hosts with Trichloroethylene A Benmerabet, A Bouhadiba, Y Belhocine, S Rahali, N Sbei, M Seydou, ... Atoms 11 (12), 153, 2023 | 4 | 2023 |
| DFT prediction of Dichlorvos β-cyclodextrin inclusion complex: energetic and non-covalent interaction insights N Naili, A Benaïssa, F Chekkal, MA Zerizer, B Zouchoune, A Bouhadiba, ... Structural Chemistry, 1-15, 2024 | 2 | 2024 |
