ioChem-BD Browse module - collection page
Medium-Entropy-Oxides Collection home page
Share - copy and redistribute the material in any medium or format. Adapt - remix, transform, and build upon the material for any purpose, even commercially. The licensor cannot revoke these freedoms as long as you follow the license terms.
Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-6-522
No other publication derived
Browse
Collection's Items (Sorted by Submit Date in Descending order): 821 to 840 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1748 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.34993908; eV | |||
 | 9-Apr-2025 | /clean surface_1749 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.64430471; eV | |||
 | 9-Apr-2025 | /clean surface_175 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.87553501; eV | |||
 | 9-Apr-2025 | /clean surface_1750 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.68487021; eV | |||
 | 9-Apr-2025 | /clean surface_1751 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.05777032; eV | |||
 | 9-Apr-2025 | /clean surface_1752 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.31961405; eV | |||
 | 9-Apr-2025 | /clean surface_1753 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.05203280; eV | |||
 | 9-Apr-2025 | /clean surface_1754 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.07971702; eV | |||
 | 9-Apr-2025 | /clean surface_1755 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.37982147; eV | |||
 | 9-Apr-2025 | /clean surface_1756 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.02715188; eV | |||
 | 9-Apr-2025 | /clean surface_1757 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.75765569; eV | |||
 | 9-Apr-2025 | /clean surface_1758 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.53802999; eV | |||
 | 9-Apr-2025 | /clean surface_1759 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.72334432; eV | |||
 | 9-Apr-2025 | /clean surface_176 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.74263352; eV | |||
 | 9-Apr-2025 | /clean surface_1760 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.22228476; eV | |||
 | 9-Apr-2025 | /clean surface_1761 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.05893016; eV | |||
 | 9-Apr-2025 | /clean surface_1762 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.58461719; eV | |||
 | 9-Apr-2025 | /clean surface_1763 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.57390603; eV | |||
 | 9-Apr-2025 | /clean surface_1764 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.12647569; eV | |||
 | 9-Apr-2025 | /clean surface_1765 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.75357207; eV |
Collection's Items (Sorted by Submit Date in Descending order): 821 to 840 of 4380
