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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): 461 to 480 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_142 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.70904866; eV | |||
 | 9-Apr-2025 | /clean surface_1420 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.36351729; eV | |||
 | 9-Apr-2025 | /clean surface_1421 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.34476635; eV | |||
 | 9-Apr-2025 | /clean surface_1422 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.34463453; eV | |||
 | 9-Apr-2025 | /clean surface_1423 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.03310200; eV | |||
 | 9-Apr-2025 | /clean surface_1424 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.65786672; eV | |||
 | 9-Apr-2025 | /clean surface_1425 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.22668854; eV | |||
 | 9-Apr-2025 | /clean surface_1426 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.68696560; eV | |||
 | 9-Apr-2025 | /clean surface_1427 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -420.79659313; eV | |||
 | 9-Apr-2025 | /clean surface_1428 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.55923712; eV | |||
 | 9-Apr-2025 | /clean surface_1429 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.89727831; eV | |||
 | 9-Apr-2025 | /clean surface_143 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.23641100; eV | |||
 | 9-Apr-2025 | /clean surface_1430 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.75021369; eV | |||
 | 9-Apr-2025 | /clean surface_1431 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.33336474; eV | |||
 | 9-Apr-2025 | /clean surface_1432 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.28681285; eV | |||
 | 9-Apr-2025 | /clean surface_1433 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.67059129; eV | |||
 | 9-Apr-2025 | /clean surface_1434 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.49259372; eV | |||
 | 9-Apr-2025 | /clean surface_1435 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.19886574; eV | |||
 | 9-Apr-2025 | /clean surface_1436 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.58635396; eV | |||
 | 9-Apr-2025 | /clean surface_1437 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.94051043; eV |
Collection's Items (Sorted by Submit Date in Descending order): 461 to 480 of 4380
