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): 2041 to 2060 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_1051 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.87865899; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1052 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.02851665; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1053 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.26296269; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1054 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.48304938; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1055 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.16167070; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1056 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -428.15333166; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1057 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.94119654; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1058 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.15059047; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1059 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.09464644; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_106 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.12951614; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1060 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.97416845; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1061 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.36061053; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1062 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.22761112; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1063 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.45701844; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1064 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.41096260; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1065 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.04082689; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1066 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.51694318; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1067 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.05624603; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1068 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.78288648; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1069 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.21556864; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2041 to 2060 of 4380
