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DOI: 10.19061/iochem-bd-6-522
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Collection's Items (Sorted by Submit Date in Descending order): 301 to 320 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1271 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.96033543; eV | |||
 | 9-Apr-2025 | /clean surface_1272 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.41260499; eV | |||
 | 9-Apr-2025 | /clean surface_1273 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.38651618; eV | |||
 | 9-Apr-2025 | /clean surface_1274 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.62131736; eV | |||
 | 9-Apr-2025 | /clean surface_1275 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.39470861; eV | |||
 | 9-Apr-2025 | /clean surface_1276 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.06545820; eV | |||
 | 9-Apr-2025 | /clean surface_1277 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.35022121; eV | |||
 | 9-Apr-2025 | /clean surface_1278 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.00193352; eV | |||
 | 9-Apr-2025 | /clean surface_1279 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.54713379; eV | |||
 | 9-Apr-2025 | /clean surface_128 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.21832691; eV | |||
 | 9-Apr-2025 | /clean surface_1280 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.13230626; eV | |||
 | 9-Apr-2025 | /clean surface_1281 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.07971143; eV | |||
 | 9-Apr-2025 | /clean surface_1282 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.01094606; eV | |||
 | 9-Apr-2025 | /clean surface_1283 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.81369547; eV | |||
 | 9-Apr-2025 | /clean surface_1284 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.94077415; eV | |||
 | 9-Apr-2025 | /clean surface_1285 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.11762999; eV | |||
 | 9-Apr-2025 | /clean surface_1286 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.97659060; eV | |||
 | 9-Apr-2025 | /clean surface_1288 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.19114484; eV | |||
 | 9-Apr-2025 | /clean surface_1289 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.94150645; eV | |||
 | 9-Apr-2025 | /clean surface_129 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.49773503; eV |
Collection's Items (Sorted by Submit Date in Descending order): 301 to 320 of 4380
