Browsing by Author Ritopecki, Milica
Showing results 1 to 20 of 1144
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Aug-2025 | /Bulk-supercells c-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -967.91772333; eV | |||
| 28-Aug-2025 | /Bulk-supercells c-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -967.91772333; eV | |||
| 28-Aug-2025 | /Bulk-supercells c-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -967.91772333; eV | |||
| 28-Aug-2025 | /Bulk-supercells c-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -914.25075791; eV | |||
| 28-Aug-2025 | /Bulk-supercells c-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -914.25075791; eV | |||
| 28-Aug-2025 | /Bulk-supercells c-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -914.25075791; eV | |||
| 28-Aug-2025 | /Bulk-supercells m-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -976.49529238; eV | |||
| 28-Aug-2025 | /Bulk-supercells m-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -976.49529238; eV | |||
| 28-Aug-2025 | /Bulk-supercells m-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -976.49529238; eV | |||
| 28-Aug-2025 | /Bulk-supercells m-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -920.61744686; eV | |||
| 28-Aug-2025 | /Bulk-supercells m-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -920.61744686; eV | |||
| 28-Aug-2025 | /Bulk-supercells m-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -920.61744686; eV | |||
| 28-Aug-2025 | /Bulk-supercells t-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -728.22958326; eV | |||
| 28-Aug-2025 | /Bulk-supercells t-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -728.22958326; eV | |||
| 28-Aug-2025 | /Bulk-supercells t-HfO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -728.22958326; eV | |||
| 28-Aug-2025 | /Bulk-supercells t-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -687.85392921; eV | |||
| 28-Aug-2025 | /Bulk-supercells t-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -687.85392921; eV | |||
| 28-Aug-2025 | /Bulk-supercells t-ZrO₂ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -687.85392921; eV | |||
| 28-Aug-2025 | /In-models/Bulks-In-incorporation/HfO2 c-InHfOₓ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -952.68134403; eV | |||
| 28-Aug-2025 | /In-models/Bulks-In-incorporation/HfO2 c-InHfOₓ | Ritopecki, Milica | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -952.68134403; eV |