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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): 481 to 500 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1438 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.94501891; eV | |||
 | 9-Apr-2025 | /clean surface_1439 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.14550683; eV | |||
 | 9-Apr-2025 | /clean surface_144 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.61510671; eV | |||
 | 9-Apr-2025 | /clean surface_1440 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.99254556; eV | |||
 | 9-Apr-2025 | /clean surface_1441 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.40576133; eV | |||
 | 9-Apr-2025 | /clean surface_1442 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.33453852; eV | |||
 | 9-Apr-2025 | /clean surface_1443 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.12266158; eV | |||
 | 9-Apr-2025 | /clean surface_1444 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.69306599; eV | |||
 | 9-Apr-2025 | /clean surface_1445 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.92748892; eV | |||
 | 9-Apr-2025 | /clean surface_1446 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.78227184; eV | |||
 | 9-Apr-2025 | /clean surface_1447 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.39659268; eV | |||
 | 9-Apr-2025 | /clean surface_1448 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.37848448; eV | |||
 | 9-Apr-2025 | /clean surface_1449 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52590682; eV | |||
 | 9-Apr-2025 | /clean surface_145 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.75541549; eV | |||
 | 9-Apr-2025 | /clean surface_1450 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.24618316; eV | |||
 | 9-Apr-2025 | /clean surface_1451 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.26908431; eV | |||
 | 9-Apr-2025 | /clean surface_1452 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.92265591; eV | |||
 | 9-Apr-2025 | /clean surface_1453 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.74184511; eV | |||
 | 9-Apr-2025 | /clean surface_1454 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.82038571; eV | |||
 | 9-Apr-2025 | /clean surface_1455 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.34598635; eV |
Collection's Items (Sorted by Submit Date in Descending order): 481 to 500 of 4380
