| DFT computations and molecular dynamics investigations on conformers of some pyrazinamide derivatives as corrosion inhibitors for aluminum N Ammouchi, H Allal, Y Belhocine, S Bettaz, E Zouaoui Journal of molecular liquids 300, 112309, 2020 | 85 | 2020 |
| Computational study of some thiophene derivatives as aluminium corrosion inhibitors H Allal, Y Belhocine, E Zouaoui Journal of Molecular Liquids 265, 668-678, 2018 | 78 | 2018 |
| Multiscale study of the structure and hydrogen storage capacity of an aluminum metal-organic framework S Rahali, Y Belhocine, M Seydou, F Maurel, B Tangour International Journal of Hydrogen energy 42 (22), 15271-15282, 2017 | 33 | 2017 |
| Structural, electronic, and energetic investigations of acrolein adsorption on B36 borophene nanosheet: a dispersion-corrected DFT insight H Allal, Y Belhocine, S Rahali, M Damous, N Ammouchi Journal of Molecular Modeling 26 (6), 128, 2020 | 26 | 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 | 26 | 2014 |
| 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 | 25 | 2017 |
| Inclusion complexation of chloroquine with α and β-cyclodextrin: Theoretical insights from the new B97-3c composite method IM Assaba, S Rahali, Y Belhocine, H Allal Journal of Molecular Structure 1227, 129696, 2021 | 21 | 2021 |
| Quantum chemical exploration on the inhibition performance of indole and some of its derivatives against copper corrosion M Damous, H Allal, Y Belhocine, S Maza, H Merazig Journal of Molecular Liquids 340, 117136, 2021 | 20 | 2021 |
| 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 | 18 | 2020 |
| First-principles investigation of hydrogen storage on lead (II)-based metal-organic framework S Rahali, M Seydou, Y Belhocine, F Maurel, B Tangour international journal of hydrogen energy 41 (4), 2711-2719, 2016 | 18 | 2016 |
| Application of mesoporous CaO@ g-C3N4 nanosorbent materials for high-efficiency removal of Pb (II) from aqueous solution S Rahali, MAB Aissa, A Modwi, RB Said, Y Belhocine Journal of Molecular Liquids 379, 121594, 2023 | 16 | 2023 |
| Removal of malachite green dye from aqueous solution by catalytic wet oxidation technique using Ni/kaolin as catalyst A Moumen, Y Belhocine, N Sbei, S Rahali, FAM Ali, F Mechati, ... Molecules 27 (21), 7528, 2022 | 15 | 2022 |
| DFT-D4 insight into the inclusion of amphetamine and methamphetamine in cucurbit [7] uril: energetic, structural and biosensing properties A Litim, Y Belhocine, T Benlecheb, MG Ghoniem, Z Kabouche, FAM Ali, ... Molecules 26 (24), 7479, 2021 | 15 | 2021 |
| A dispersion corrected DFT investigation of the inclusion complexation of dexamethasone with β-cyclodextrin and molecular docking study of its potential activity against COVID-19 Y Belhocine, S Rahali, H Allal, IM Assaba, MG Ghoniem, FAM Ali Molecules 26 (24), 7622, 2021 | 14 | 2021 |
| Balance between physical and chemical interactions of second-row diatomic molecules with graphene sheet S Rahali, Y Belhocine, J Touzeau, B Tangour, F Maurel, M Seydou Superlattices and Microstructures 102, 45-55, 2017 | 14 | 2017 |
| 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 | 12 | 2018 |
| 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 | 11 | 2022 |
| Preparation, microstructure studies and mechanical properties of glazes ceramic sanitary ware based on kaolin S Benkacem, K Boudeghdegh, F Zehani, M Hamidouche, Y Belhocine Science of Sintering 53 (2), 209-221, 2021 | 9 | 2021 |
| Synthesis of polytetrahydrofuran using protonated kaolin as a solid acid catalyst A Moumen, Z Hattab, Y Belhocine, K Guerfi, N Rebbani Bulletin of Chemical Reaction Engineering & Catalysis 14 (2), 294-300, 2019 | 6 | 2019 |
| In search of preferential macrocyclic hosts for sulfur mustard sensing and recognition: a computational investigation through the new composite method r2SCAN-3c of the key … FA Messiad, N Ammouchi, Y Belhocine, H Alhussain, MG Ghoniem, ... Nanomaterials 12 (15), 2517, 2022 | 5 | 2022 |
