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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): 621 to 640 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1568 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.22488866; eV | |||
 | 9-Apr-2025 | /clean surface_1569 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.90419914; eV | |||
 | 9-Apr-2025 | /clean surface_157 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.57178415; eV | |||
 | 9-Apr-2025 | /clean surface_1570 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.82334234; eV | |||
 | 9-Apr-2025 | /clean surface_1571 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.32702006; eV | |||
 | 9-Apr-2025 | /clean surface_1572 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.72260658; eV | |||
 | 9-Apr-2025 | /clean surface_1573 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.07293414; eV | |||
 | 9-Apr-2025 | /clean surface_1574 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.25098455; eV | |||
 | 9-Apr-2025 | /clean surface_1575 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.65439750; eV | |||
 | 9-Apr-2025 | /clean surface_1576 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.18531864; eV | |||
 | 9-Apr-2025 | /clean surface_1577 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.95019160; eV | |||
 | 9-Apr-2025 | /clean surface_1578 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.79160340; eV | |||
 | 9-Apr-2025 | /clean surface_1579 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.74980221; eV | |||
 | 9-Apr-2025 | /clean surface_158 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.49692987; eV | |||
 | 9-Apr-2025 | /clean surface_1580 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.83572652; eV | |||
 | 9-Apr-2025 | /clean surface_1581 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.97515630; eV | |||
 | 9-Apr-2025 | /clean surface_1582 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.91239371; eV | |||
 | 9-Apr-2025 | /clean surface_1583 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.90175204; eV | |||
 | 9-Apr-2025 | /clean surface_1584 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.62150974; eV | |||
 | 9-Apr-2025 | /clean surface_1585 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.17630911; eV |
Collection's Items (Sorted by Submit Date in Descending order): 621 to 640 of 4380
