| Robust pyrrole-Schiff base Zinc complexes as novel catalysts for the selective cycloaddition of CO2 to epoxides MA de La Peña, L Merzoud, W Lamine, A Tuel, H Chermette, L Christ Journal of CO2 Utilization 44, 101380, 2021 | 28 | 2021 |
| Exploring the antioxidant activity of thiaflavan compounds: a quantum chemical study D Hannachi, NEH Amrane, L Merzoud, H Chermette New Journal of Chemistry 45 (30), 13451-13462, 2021 | 14 | 2021 |
| A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa‐Diels–Alder cycloaddition of substituted diene with benzaldehyde A Khorief Nacereddine, L Merzoud, C Morell, H Chermette Journal of computational chemistry 42 (18), 1296-1311, 2021 | 12 | 2021 |
| Fluorine substituent effect on the stereochemistry of catalyzed and non-catalyzed Diels–Alder reactions. The case of R-butenone with cyclopentadiene: a computational assessment … L Merzoud, A Saal, R Moussaoui, O Ouamerali, C Morell, H Chermette Physical Chemistry Chemical Physics 20 (23), 16102-16116, 2018 | 10 | 2018 |
| A statistical thermodynamics view of electron density polarisation: application to chemical selectivity F Guégan, V Tognetti, JI Martínez-Araya, H Chermette, L Merzoud, ... Physical Chemistry Chemical Physics 22 (41), 23553-23562, 2020 | 9 | 2020 |
| Substituent Effect on the Himbert Intramolecular Arene/Allene Diels–Alder Reaction: NBO Analysis and State Specific Dual Descriptors L Merzoud, A Saal, C Morell, H Chermette The Journal of Physical Chemistry A 123 (50), 10730-10738, 2019 | 7 | 2019 |
| Predicted structure and selectivity of 3d transition metal complexes with glutamic N, N-bis (carboxymethyl) acid F Mechachti, S Lakehal, A Lakehal, C Morell, L Merzoud, H Chermette New Journal of Chemistry 45 (39), 18366-18378, 2021 | 6 | 2021 |
| Electronic Structure and Photoluminescence Properties of Eu(η9-C9H9)2 H Ramanantoanina, L Merzoud, JT Muya, H Chermette, C Daul The Journal of Physical Chemistry A 124 (1), 152-164, 2019 | 6 | 2019 |
| Understanding the intermolecular Diels–Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory … L Merzoud, F Guégan, H Chermette, C Morell Journal of computational chemistry 42 (19), 1364-1372, 2021 | 5 | 2021 |
| Structural, Electronic, Thermodynamic, Optical and Nonlinear Optical Properties of Curcumin Complexes with Transition Metals: DFT and TD‐DFT Study A Khireddine, M Boukelkoul, Y Atalay, Ö Tamer, D Avcɩ, L Merzoud, ... ChemistrySelect 7 (14), e202104442, 2022 | 4 | 2022 |
| NBO analysis of the torquoselectivity of the electrocyclic reactions of mono-substituted cyclobutenes A Saal, L Merzoud Journal of Computational Methods in Sciences and Engineering 16 (2), 437-447, 2016 | 4 | 2016 |
| Relaxation of Kohn–Sham orbitals of organometallic complexes during the approach of a nucleophilic reactant (or an electron approach): The case of [sal (ph) en] 2 Zn complexes W Lamine, S Boughdiri, L Christ, L Merzoud, C Morell, H Chermette Theoretical Chemistry Accounts 139 (1), 7, 2020 | 3 | 2020 |
| Polarisation of Electron Density and Electronic Effects: Revisiting the Carbon–Halogen Bonds S Menant, F Guégan, V Tognetti, L Merzoud, L Joubert, H Chermette, ... Molecules 26 (20), 6218, 2021 | 2 | 2021 |
| Zwitterionic bifunctional stable zinc complexes as single catalysts for the valorization of CO2 into cyclic carbonates MA de la Peña, L Merzoud, D Bussé-Côté, A Tuel, C Morell, H Chermette, ... Molecular Catalysis 553, 113746, 2024 | 1 | 2024 |
| Understanding the mechanism and regio‐and stereo selectivity of [3+ 2] cycloaddition reactions between substituted azomethine ylide and 3, 3, 3‐trifluoro‐1‐nitroprop‐1‐ene … C Sobhi, L Merzoud, S Bouasla, AK Nacereddine, C Morell, H Chermette Journal of Computational Chemistry 44 (12), 1208-1220, 2023 | 1 | 2023 |
| Insight into the Varying Reactivity of Different Catalysts for CO2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study AP Sebaaly, H Dias, L Christ, L Merzoud, H Chermette, G Hoffmann, ... International Journal of Molecular Sciences 24 (3), 2123, 2023 | 1 | 2023 |
| Degradation by hydrolysis of three triphenylmethane dyes: DFT and TD-DFT study D Taharchaouche, N Latelli, H Merouani, B Wahiba, N Mechehoud, ... Theoretical Chemistry Accounts 142 (1), 10, 2023 | 1 | 2023 |
| Reactivity and a Charge-Transfer Model Analysis in Aminopolycarboxylic–Metal Complexes N Redjem, S Lakehal, A Lakehal, C Morell, L Merzoud, H Chermette Inorganic Chemistry 61 (11), 4673-4680, 2022 | 1 | 2022 |
| Synthesis and Thermal Behavior of Heteroleptic γ‐Substituted Acetylacetonate‐Alkoxides of Titanium D Bijou, T Cornier, S Mishra, L Merzoud, H Chermette, E Jeanneau, ... European Journal of Inorganic Chemistry 2021 (20), 1976-1983, 2021 | 1 | 2021 |
| DFT study of the condensation products of 2-chloro-3-formylquinolines with o-aminophenol, o-aminothiophenol and o-phenylenediamine N Benabila, H Merouani, N Latelli, AA May, C Morell, L Merzoud, ... Theoretical Chemistry Accounts 142 (11), 111, 2023 | | 2023 |
