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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): 2521 to 2540 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_1484 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.97537911; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1485 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.64026437; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1486 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.63559998; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1487 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.85615003; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1488 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.75981068; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1489 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.41445924; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_149 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.22229708; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1490 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.46942210; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1491 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.52413763; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1492 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.39169663; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1493 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.32446136; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1494 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.97431269; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1495 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.08672322; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1496 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.65899216; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1497 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.11037458; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1498 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.18804924; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1499 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.19220229; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_15 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.52633213; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_150 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.40069405; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1500 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.10648509; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2521 to 2540 of 4380
