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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): 541 to 560 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1495 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.86360651; eV | |||
 | 9-Apr-2025 | /clean surface_1496 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.93690363; eV | |||
 | 9-Apr-2025 | /clean surface_1497 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.32348615; eV | |||
 | 9-Apr-2025 | /clean surface_1499 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.35363614; eV | |||
 | 9-Apr-2025 | /clean surface_15 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.24851793; eV | |||
 | 9-Apr-2025 | /clean surface_150 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.44891179; eV | |||
 | 9-Apr-2025 | /clean surface_1500 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.02366561; eV | |||
 | 9-Apr-2025 | /clean surface_1501 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.46342781; eV | |||
 | 9-Apr-2025 | /clean surface_1502 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.89372728; eV | |||
 | 9-Apr-2025 | /clean surface_1503 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.88752984; eV | |||
 | 9-Apr-2025 | /clean surface_1504 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.98993123; eV | |||
 | 9-Apr-2025 | /clean surface_1505 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.32728386; eV | |||
 | 9-Apr-2025 | /clean surface_1506 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.83934302; eV | |||
 | 9-Apr-2025 | /clean surface_1507 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.97511675; eV | |||
 | 9-Apr-2025 | /clean surface_1508 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.75930686; eV | |||
 | 9-Apr-2025 | /clean surface_1509 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.22864797; eV | |||
 | 9-Apr-2025 | /clean surface_151 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.75985005; eV | |||
 | 9-Apr-2025 | /clean surface_1510 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.29225617; eV | |||
 | 9-Apr-2025 | /clean surface_1511 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.29240123; eV | |||
 | 9-Apr-2025 | /clean surface_1512 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.10532683; eV |
Collection's Items (Sorted by Submit Date in Descending order): 541 to 560 of 4380
