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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): 2761 to 2780 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_1700 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.95321142; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1701 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.42764968; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1702 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.22432842; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1703 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.42491611; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1704 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.75168302; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1705 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.84372707; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1706 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.67305942; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1707 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.73906064; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1708 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.19384872; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1709 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.96937939; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_171 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.89942853; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1710 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.64099687; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1711 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.62649645; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1712 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.51168405; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1713 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.40793592; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1714 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.35371303; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1715 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.35725937; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1716 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.14196123; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1717 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20337662; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1718 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.03408793; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2761 to 2780 of 4380
