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 |
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 | 35 | 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 | 25 | 2020 |
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 |
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 |
Detailed structural examination, quantum mechanical studies of the aromatic compound solarimfetol and formation of inclusion compound with cucurbituril T Pooventhiran, M Cheriet, U Bhattacharyya, A Irfan, R Puchta, ... Polycyclic Aromatic Compounds 42 (8), 5443-5455, 2022 | 14 | 2022 |
DFT Investigation of a Charge-Transfer Complex Formation Between p-Phenylenediamine and 3,5-Dinitrosalicylic Acid AS Athmani, F Madi, I Laafifi, M Cheriet, N Issaoui, L Nouar, R Merdes Journal of Structural Chemistry 60, 1906-1916, 2019 | 10 | 2019 |
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 (1-2), 127-136, 2017 | 10 | 2017 |
Computational approach in the study of the inclusion processes of Thymol with β-cyclodextrin M Abdelaali, M Fatiha, N Leila, M Nora, C Mouna, H Sakina, KD Eddine Journal of Molecular Liquids 242, 714-721, 2017 | 8 | 2017 |
Dopamine Family Complexes with β-Cyclodextrin: Molecular Docking Studies M Cheriet, R Djemil, A Khellaf, D Khatmi Polycyclic Aromatic Compounds 42 (9), 6033-6042, 2022 | 4 | 2022 |
In Silico Study of Selected Natural Products as SARS-CoV-2 MPro Binder: Molecular Docking and Molecular Dynamics Simulation B Bencheikh, M Cheriet, R Djemil, D Khatmi Polycyclic Aromatic Compounds, 1-13, 2022 | 4 | 2022 |
Force field calculation of GABA using ab-initio methods and Raman spectroscopy A Boutasta, A Benosman, M Cheriet, A Khellaf International Journal of Advanced Studies in Computers, Science and …, 2022 | | 2022 |
Etude par la méthode DFT des complexes d’inclusion de deux médicaments antituberculose Pyrazinamide et Isoniazide avec la Cucurbit [7] uril M CHERIET | | 2019 |
Etude par Docking Moléculaire des complexes neurotransmetteurs: cyclodextrine M Cheriet | | 2015 |
Quantum investigation of the reaction between triplet oxygen O (3P) atom and butadiene B MESSAOUDI, M CHERIET, R DJEMIL, D KHATMİ Turkish Computational and Theoretical Chemistry 7 (2), 1-11, 0 | | |