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): 1081 to 1100 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1989 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.28773169; eV | |||
 | 9-Apr-2025 | /clean surface_199 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.37465215; eV | |||
 | 9-Apr-2025 | /clean surface_1990 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.14193768; eV | |||
 | 9-Apr-2025 | /clean surface_1991 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.02146255; eV | |||
 | 9-Apr-2025 | /clean surface_1992 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.89158768; eV | |||
 | 9-Apr-2025 | /clean surface_1993 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89034939; eV | |||
 | 9-Apr-2025 | /clean surface_1994 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.00804169; eV | |||
 | 9-Apr-2025 | /clean surface_1995 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.96117581; eV | |||
 | 9-Apr-2025 | /clean surface_1996 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.77947787; eV | |||
 | 9-Apr-2025 | /clean surface_1997 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.88148275; eV | |||
 | 9-Apr-2025 | /clean surface_1998 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.71793394; eV | |||
 | 9-Apr-2025 | /clean surface_1999 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.94348994; eV | |||
 | 9-Apr-2025 | /clean surface_2 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.46942443; eV | |||
 | 9-Apr-2025 | /clean surface_20 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.83102482; eV | |||
 | 9-Apr-2025 | /clean surface_200 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.30430650; eV | |||
 | 9-Apr-2025 | /clean surface_2000 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.62152924; eV | |||
 | 9-Apr-2025 | /clean surface_201 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.16476867; eV | |||
 | 9-Apr-2025 | /clean surface_202 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.96253285; eV | |||
 | 9-Apr-2025 | /clean surface_203 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.70012704; eV | |||
 | 9-Apr-2025 | /clean surface_204 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.88133130; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1081 to 1100 of 4380
