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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): 2661 to 2680 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_161 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.59031789; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1610 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.43358664; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1611 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.63188141; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1612 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.16745639; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1613 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.10924989; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1614 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.99983407; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1615 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.31232411; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1616 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.53747459; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1617 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.82736334; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1618 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.17126949; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1619 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.76963030; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_162 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.59909764; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1620 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.41308323; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1621 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.09289701; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1622 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.98615528; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1623 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.83929078; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1624 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.81540075; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1625 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.93812433; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1626 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.71476496; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1627 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.56412272; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2661 to 2680 of 4380
