Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
23-Oct-2023 | h2o_pt8,_scnd_layer_site,_2_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only | Geometry optimization | DFT | - | -715.05451944; eV | ||||
23-Oct-2023 | 4f_core,_2_te,_label_14 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.86572130; eV | ||||
23-Oct-2023 | 4f_core,_1_te,_label_7 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -700.17482111; eV | ||||
23-Oct-2023 | 4f_core,_1_te,_label_5 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only | Geometry optimization | DFT | - | -700.56915252; eV | ||||
23-Oct-2023 | oh_pt8,_scnd_layer_site,_2_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only | Geometry optimization | DFT | - | -711.17327457; eV | ||||
23-Oct-2023 | oh_pt8,_scnd_layer_site,_1_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only | Geometry optimization | DFT | - | -711.67613085; eV | ||||
23-Oct-2023 | oh_pt8,_scnd_layer_site,_3_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only | Geometry optimization | DFT | - | -710.44399806; eV | ||||
23-Oct-2023 | oh_pt8,_top_site,_0_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -711.50084891; eV | ||||
23-Oct-2023 | h2o_pt8,_scnd_layer_site,_0_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only | Geometry optimization | DFT | - | -715.93070706; eV | ||||
23-Oct-2023 | co_pt8,_top_site,_0_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Geometry optimization | DFT | - | -717.53103359; eV |
Results 101-110 of 110 (Search time: 0.002 seconds).
Discover
Subject
- 110 CeO2
- 110 ceria
- 110 DFT
- 110 electron transfer
- 110 electronic metal-support interact...
- 110 H2O
- 110 nanostructured catalysts
- 110 polarons
- 110 Pt
- 110 reducible oxides
- next >
Method
- 110 DFT