Browsing by Subject Pt
Showing results 21 to 40 of 298
< previous
next >
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
23-Oct-2023 | 4f_core,_2_te,_label_45 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.92782527; eV | ||||
23-Oct-2023 | 4f_core,_2_te,_label_46 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.70266175; eV | ||||
23-Oct-2023 | 4f_core,_2_te,_label_66 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.72619942; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_122 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.08467239; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_123 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.11988577; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_124 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.01647890; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_125 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.28512744; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_126 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.13252476; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_133 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.06396752; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_134 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.00135237; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_135 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.27001159; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_136 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.09364935; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_145 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.28667603; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_146 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.03047914; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_156 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.29694870; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_223 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.68651177; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_224 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.57688524; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_225 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.84908972; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_226 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.77514361; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_233 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.69224020; eV |