| Spin crossover in a single Fe(phen(NCS molecule adsorbed onto metallic substrates: An ab initio calculation S Gueddida, M Alouani Physical Review B 87 (14), 144413, 2013 | 59 | 2013 |
| Exchange coupling of spin-crossover molecules to ferromagnetic Co islands S Gueddida, M Gruber, T Miyamachi, E Beaurepaire, W Wulfhekel, ... The Journal of Physical Chemistry Letters 7 (5), 900-904, 2016 | 43 | 2016 |
| Adsorption of methylene blue on silica nanoparticles: Modelling analysis of the adsorption mechanism via a double layer model Z Li, L Sellaoui, S Gueddida, GL Dotto, AB Lamine, A Bonilla-Petriciolet, ... Journal of Molecular Liquids 319, 114348, 2020 | 35 | 2020 |
| Atomistic description of phenol, CO and H2O adsorption over crystalline and amorphous silica surfaces for hydrodeoxygenation applications Y Berro, S Gueddida, S Lebègue, A Pasc, N Canilho, M Kassir, ... Applied Surface Science 494, 721-730, 2019 | 28 | 2019 |
| Spin density in : I. Joint refinement of polarized neutron diffraction and magnetic x-ray diffraction data leading to insights into orbital ordering IA Kibalin, Z Yan, AB Voufack, S Gueddida, B Gillon, A Gukasov, ... Physical Review B 96 (5), 054426, 2017 | 28 | 2017 |
| Calculated impact of ferromagnetic substrate on the spin crossover in a molecule S Gueddida, M Alouani Physical Review B 93 (18), 184433, 2016 | 24 | 2016 |
| Interaction between transition metals (Co, Ni, and Cu) systems and amorphous silica surfaces: a DFT investigation S Gueddida, S Lebègue, M Badawi Applied Surface Science, 147422, 2020 | 20 | 2020 |
| Imprinting isolated single iron atoms onto mesoporous silica by templating with metallosurfactants Y Berro, S Gueddida, Y Bouizi, C Bellouard, EE Bendeif, A Gansmuller, ... Journal of Colloid and Interface Science 573, 193-203, 2020 | 20 | 2020 |
| Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3 Perovskite T Ouahrani, FZ Medjdoub, S Gueddida, AL Fernandez, R Franco, ... The Journal of Physical Chemistry C 125 (1), 107-119, 2020 | 17 | 2020 |
| Assessing the potential of amorphous silica surfaces for the removal of phenol from biofuel: a density functional theory investigation S Gueddida, S Lebègue, M Badawi The Journal of Physical Chemistry C 124 (37), 20262-20269, 2020 | 16 | 2020 |
| Spin density in : II. Momentum-space representation of electron spin density supported by position-space results Z Yan, IA Kibalin, N Claiser, S Gueddida, B Gillon, A Gukasov, ... Physical Review B 96 (5), 054427, 2017 | 16 | 2017 |
| Ab initio investigation of the adsorption of phenolic compounds, CO, and H2O over metallic cluster/silica catalysts for hydrodeoxygenation process S Gueddida, S Lebègue, A Pasc, A Dufour, M Badawi Applied Surface Science 567, 150790, 2021 | 14 | 2021 |
| Grafting of iron on amorphous silica surfaces from ab initio calculations S Gueddida, M Badawi, S Lebègue The Journal of Chemical Physics 152 (21), 214706, 2020 | 14 | 2020 |
| Ternary Chalcogenides BaMxTe2 (M = Cu, Ag): Syntheses, Modulated Crystal Structures, Optical Properties, and Electronic Calculations S Jana, M Ishtiyak, G Panigrahi, J Prakash, A Mesbah, S Gueddida, ... Inorganic chemistry 59 (17), 12276-12285, 2020 | 12 | 2020 |
| Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data S Gueddida, Z Yan, I Kibalin, AB Voufack, N Claiser, M Souhassou, ... The Journal of chemical physics 148 (16), 164106, 2018 | 10 | 2018 |
| Competitive adsorption of phenol and toluene onto silica-supported transition metal clusters for biofuel purification S Gueddida, M Badawi, T Aminabhavi, S Lebègue Molecular Systems Design & Engineering 6 (10), 817-824, 2021 | 8 | 2021 |
| Development of a joint refinement model for the spin-resolved one-electron reduced density matrix using different data sets S Gueddida, Z Yan, JM Gillet Acta Crystallographica Section A: Foundations and Advances 74 (2), 131-142, 2018 | 8 | 2018 |
| Unravelling the critical role of silanol in Pt/SiO2 for room temperature HCHO oxidation: an experimental and DFT study S Chen, S Gueddida, M Badawi, S Lebègue, JM Giraudon, J Dhainaut, ... Applied Catalysis B: Environmental, 122672, 2023 | 7 | 2023 |
| Selective adsorption of glucose towards itaconic acid on amorphous silica surfaces: Insights from density functional theory calculations S Gueddida, M Badawi, HE Reynel-Ávila, A Bonilla-Petriciolet, S Lebègue Journal of Molecular Liquids 343, 117586, 2021 | 6 | 2021 |
| A theoretical investigation of the effect of fluorination and bromination on the optoelectronic properties of tetrathienophenazine derivatives K Lazaar, S Gueddida, D Foerster, M Said Computational Materials Science 177, 109578, 2020 | 6 | 2020 |
sebastien lebegueCNRSVerified email at univ-lorraine.fr
