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): 141 to 160 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1124 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.12734114; eV | |||
 | 9-Apr-2025 | /clean surface_1125 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.30023627; eV | |||
 | 9-Apr-2025 | /clean surface_1126 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.41809903; eV | |||
 | 9-Apr-2025 | /clean surface_1127 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.32776195; eV | |||
 | 9-Apr-2025 | /clean surface_1128 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.23757554; eV | |||
 | 9-Apr-2025 | /clean surface_1129 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.41984108; eV | |||
 | 9-Apr-2025 | /clean surface_113 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20176646; eV | |||
 | 9-Apr-2025 | /clean surface_1130 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.30587453; eV | |||
 | 9-Apr-2025 | /clean surface_1131 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.85395488; eV | |||
 | 9-Apr-2025 | /clean surface_1132 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.53697871; eV | |||
 | 9-Apr-2025 | /clean surface_1133 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.89705711; eV | |||
 | 9-Apr-2025 | /clean surface_1134 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65436214; eV | |||
 | 9-Apr-2025 | /clean surface_1135 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.06133115; eV | |||
 | 9-Apr-2025 | /clean surface_1136 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.75136705; eV | |||
 | 9-Apr-2025 | /clean surface_1137 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.93771110; eV | |||
 | 9-Apr-2025 | /clean surface_1138 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.12704060; eV | |||
 | 9-Apr-2025 | /clean surface_1139 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.89821192; eV | |||
 | 9-Apr-2025 | /clean surface_114 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.60500136; eV | |||
 | 9-Apr-2025 | /clean surface_1140 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.00038681; eV | |||
 | 9-Apr-2025 | /clean surface_1141 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.45674950; eV |
Collection's Items (Sorted by Submit Date in Descending order): 141 to 160 of 4380
