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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): 521 to 540 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1475 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.90533743; eV | |||
 | 9-Apr-2025 | /clean surface_1476 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.68851690; eV | |||
 | 9-Apr-2025 | /clean surface_1477 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.11034862; eV | |||
 | 9-Apr-2025 | /clean surface_1478 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.59052147; eV | |||
 | 9-Apr-2025 | /clean surface_1479 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.54774174; eV | |||
 | 9-Apr-2025 | /clean surface_148 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.08718762; eV | |||
 | 9-Apr-2025 | /clean surface_1480 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -420.59365248; eV | |||
 | 9-Apr-2025 | /clean surface_1481 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.83383062; eV | |||
 | 9-Apr-2025 | /clean surface_1482 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85392264; eV | |||
 | 9-Apr-2025 | /clean surface_1483 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.73483840; eV | |||
 | 9-Apr-2025 | /clean surface_1484 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.26315773; eV | |||
 | 9-Apr-2025 | /clean surface_1485 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.86404068; eV | |||
 | 9-Apr-2025 | /clean surface_1486 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66901284; eV | |||
 | 9-Apr-2025 | /clean surface_1488 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.09058517; eV | |||
 | 9-Apr-2025 | /clean surface_149 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01793948; eV | |||
 | 9-Apr-2025 | /clean surface_1490 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.83161733; eV | |||
 | 9-Apr-2025 | /clean surface_1491 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.54700503; eV | |||
 | 9-Apr-2025 | /clean surface_1492 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.53564321; eV | |||
 | 9-Apr-2025 | /clean surface_1493 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.45194499; eV | |||
 | 9-Apr-2025 | /clean surface_1494 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.32492047; eV |
Collection's Items (Sorted by Submit Date in Descending order): 521 to 540 of 4380
