Browsing by Author Benzidi, Hind
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Oct-2023 | ABX3 | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex | N/A | DFT | - | -119.45094588; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4-bulk | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -618.61680253; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4-dft-u | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -354.27003508; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4_Co_diss | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -693.42086038; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4_Co_diss_dft-u_vacc | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -626.99682270; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4_surf | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -718.10417964; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4_surf_dft-u | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -604.69436952; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4_surf_dft-u_solv | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -602.37510450; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4_surf_pbe_solv | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -720.26728138; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4_surf_pbesol | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -709.24270771; eV | |||
 | 2-Oct-2023 | /Co3O4 Co3O4_surf_pbesol_solv | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -711.32419492; eV | |||
 | 2-Oct-2023 | /CoCrO4 CoCrO4_defect | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Geometry optimization | DFT | - | -138.74095479; eV | |||
 | 2-Oct-2023 | /CoCrO4 CoCrO4_surf | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Geometry optimization | DFT | - | - | |||
 | 2-Oct-2023 | /CoSbO4 CoSbO4_defect | Benzidi, Hind | vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex | N/A | DFT | - | -109.77315040; eV | |||
 | 2-Oct-2023 | /CoSbO4 CoSbO4_del | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -99.58031780; eV | |||
 | 2-Oct-2023 | /CoSbO4 CoSbO4_surf1 | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Single point | DFT | - | -110.27041349; eV | |||
 | 2-Oct-2023 | /CoSbO4 CoSbO4_surf2 | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Geometry optimization | DFT | - | -110.00161348; eV | |||
 | 2-Oct-2023 | /CoSO4 CoSO4_bulk | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 10:02:23) complex | Geometry optimization | DFT | - | -297.00353315; eV | |||
 | 2-Oct-2023 | /CoSO4 CoSO4_defect | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 10:02:23) complex | Geometry optimization | DFT | - | -251.72278062; eV | |||
 | 2-Oct-2023 | /CoVO VCO_bulk | Benzidi, Hind | vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex | Geometry optimization | DFT | - | -142.50381223; eV |