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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): 501 to 520 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1456 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.14908579; eV | |||
 | 9-Apr-2025 | /clean surface_1457 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.37284189; eV | |||
 | 9-Apr-2025 | /clean surface_1458 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.01584285; eV | |||
 | 9-Apr-2025 | /clean surface_1459 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.62446559; eV | |||
 | 9-Apr-2025 | /clean surface_146 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.72115088; eV | |||
 | 9-Apr-2025 | /clean surface_1460 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.97090662; eV | |||
 | 9-Apr-2025 | /clean surface_1461 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.77065467; eV | |||
 | 9-Apr-2025 | /clean surface_1462 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.07528432; eV | |||
 | 9-Apr-2025 | /clean surface_1463 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.42896535; eV | |||
 | 9-Apr-2025 | /clean surface_1464 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.31779663; eV | |||
 | 9-Apr-2025 | /clean surface_1465 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.77832930; eV | |||
 | 9-Apr-2025 | /clean surface_1466 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.92833142; eV | |||
 | 9-Apr-2025 | /clean surface_1467 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.54813923; eV | |||
 | 9-Apr-2025 | /clean surface_1468 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.85168069; eV | |||
 | 9-Apr-2025 | /clean surface_1469 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.19048193; eV | |||
 | 9-Apr-2025 | /clean surface_147 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.51924240; eV | |||
 | 9-Apr-2025 | /clean surface_1470 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.22922299; eV | |||
 | 9-Apr-2025 | /clean surface_1471 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.90926092; eV | |||
 | 9-Apr-2025 | /clean surface_1473 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.91484450; eV | |||
 | 9-Apr-2025 | /clean surface_1474 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.59226795; eV |
Collection's Items (Sorted by Submit Date in Descending order): 501 to 520 of 4380
