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Depot Institutionnel de l'UMBB >
Browsing by Subject DFT
Showing results 1 to 18 of 18
| Date de publication | Titre | Auteur(s) | | 2014 | Adsorption and diffusion of oxygen atom on UN2(100) surface and subsurface : a density functional theory study (DFT and DFT + U) | Zergoug, Toufik; Abaidia, Seddik-El-Hak; Nedjar, A.; Mokeddem, Mohamed Yazid |
| 2013 | Conformational analysis and intramolecular hydrogen bonding of cis-3-aminoindan-1-o l : a quantum chemical study | Kheffache, Djaffar; Guemmour, Hind; Dekhira, Azzedine; Benaboura, Ahmed; Ouamerali, Ourida |
| 2011 | Conformational and NMR analysis on cis 1,3-indanediol | Guemmour, Hind; Kheffache, Djaffar; Benaboura, Ahmed |
| 2022 | Coordination of new palladium (II) complexes with derived furopyran-3,4‑dione ligands: Synthesis, characterization, redox behaviour, DFT, antimicrobial activity, molecular docking and ADMET studies | Fahima Dechouk, Lamia; Bouchoucha, Afaf; Abdi, Yamina; Si Larbi, Karima; Bouzaheur, Amal; Terrachet-Bouaziz, Souhila |
| 2022 | Effects of Electron Correlations on the Magnetic Stability of Rh2TMSn Full Heusler Alloys (TM=Cr, Mn, and Fe) | Boulebda, H.; Bourourou, Y.; Bouchenafa, M.; Maabed, S.; Daoudi, Y.; Halit, M. |
| 2021 | Experimental and theoretical evaluation of the adsorption process of some polyphenols and their corrosion inhibitory properties on mild steel in acidic media | Zerroug, Meriem; Ferkous, Hana; Djellali, Souad; Bouzid, Abderrazak; Mohammed A., Amin; Rezki, Leila; Belakhdar, Amina; Jeon, Byong-Hun; Boulechfar, Chérifa; Benguerba, Yacine |
| 2015 | First principle study of oxygen diffusion on uranium nitride UN(001) surface with uranium or nitrogen vacancies | Zergoug, Toufik; Abaidia, Seddik-El-Hak; Nedjar, A. |
| 2020 | Mechanistic details of methane dry reforming on copper-nickel bimetallic surfaces | Boualouache, Adel; Boucenna, Ali |
| 2023 | A new framework of PMU based on FPGA | Mahboubi, Meriem; Bentarzi, Hamid(Directeur de thèse) |
| 2020 | Out-of-plane ionicity versus in-plane covalency interplay and electron–phonon coupling in MgB 2 superconductor | Guerfi, T. |
| 2018 | Oxygen diffusion and migration in clean and defective uranium nitride UN (0 0 1) surfaces | Zergoug, T.; Abaidia, S.E.H.; Nedjar, A. |
| 5-nov-2020 | Propriétés structurales, électroniques et magnétiques de l’oxyde de strontium (SrO) dopé Mn : une étude de premier principe | LOUADAH, Lylia; MAZOUZ, H. M. A. (Promoteur) |
| 2022 | Study of Structural, Elastic, Thermal and Transport Properties of Ternary X(X=Co, Rh and Ir)MnAs Obtained by DFT | Kadri, Salim; Tourab, Mohamed; Berkani, Mahièddine; Amraoui, Rabie; Bordjiba, Zeyneb |
| 2022 | A systematic DFT study of (Ti3/2RE1/2)AlC alloys: A new database for adjustable mechanical and electronic properties | Meftah, C.; Iles, N.; Rabahi, L.; Gallouze, M.; Feraoun, H.I.; Drir, M. |
| 2019 | Theoretical investigation of dicarboxamide mono copper (II) and novel transition metal complexes : structural, chemical reactivity, vibrational and in-silico biological analysis | Guechtouli, N.; Zaater, S.; Kichou, N.; Bouaziz-Terrachet, Souhila; Meghezzi, H. |
| 2020 | Theoretical investigation of the self-association of antitumor drug imexon | Guemmour, Hind; Kheffache, Djaffar |
| 2024 | Theoretical Study of Copper Squarate as a Promising Adsorbent for Small Gases Pollutants | Adjal, Celia; Guechtouli, Nabila; Timón, Vicente; Colmenero, Francisco; Hammoutène, Dalila |
| 2010 | What is the real existing form of imexon? - Quantum chemical studies | Kheffache, Djaffar; Ouamerali, O. |
Showing results 1 to 18 of 18
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