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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): 2601 to 2620 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_1556 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.91184527; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1557 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.44754960; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1558 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.11300588; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1559 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.87087345; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_156 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.75390010; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1560 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.68349407; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1561 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.23977646; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1562 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.03492366; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1563 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.01537478; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1564 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.94427759; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1565 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.21249540; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1566 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.61409484; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1567 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.70074058; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1568 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.89805152; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1569 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.57448223; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_157 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.36471536; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1570 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.48679074; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1571 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.26035196; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1572 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.40472852; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1573 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.37202811; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2601 to 2620 of 4380
