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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): 401 to 420 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1362 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.80900511; eV | |||
 | 9-Apr-2025 | /clean surface_1363 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.31191370; eV | |||
 | 9-Apr-2025 | /clean surface_1364 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.04657710; eV | |||
 | 9-Apr-2025 | /clean surface_1365 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.61078776; eV | |||
 | 9-Apr-2025 | /clean surface_1366 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.29081881; eV | |||
 | 9-Apr-2025 | /clean surface_1367 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.55701068; eV | |||
 | 9-Apr-2025 | /clean surface_1368 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.92682659; eV | |||
 | 9-Apr-2025 | /clean surface_1369 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.71099440; eV | |||
 | 9-Apr-2025 | /clean surface_137 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.17295809; eV | |||
 | 9-Apr-2025 | /clean surface_1370 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.61653867; eV | |||
 | 9-Apr-2025 | /clean surface_1371 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.96932869; eV | |||
 | 9-Apr-2025 | /clean surface_1372 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.66074279; eV | |||
 | 9-Apr-2025 | /clean surface_1373 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.13468600; eV | |||
 | 9-Apr-2025 | /clean surface_1374 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.39442520; eV | |||
 | 9-Apr-2025 | /clean surface_1375 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.87226672; eV | |||
 | 9-Apr-2025 | /clean surface_1376 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.90509780; eV | |||
 | 9-Apr-2025 | /clean surface_1377 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.79904726; eV | |||
 | 9-Apr-2025 | /clean surface_1378 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20193728; eV | |||
 | 9-Apr-2025 | /clean surface_1379 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.07013684; eV | |||
 | 9-Apr-2025 | /clean surface_138 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.29444747; eV |
Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 4380
