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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): 2821 to 2840 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_1755 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.89432241; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1756 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.52432555; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1757 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.47035592; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1758 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -428.59248862; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1759 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.97660840; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_176 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.48323976; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1760 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.89759231; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1761 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.14071328; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1762 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.94772919; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1763 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.50831202; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1764 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -428.26656289; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1765 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.63936276; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1766 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.29578039; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1767 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.42672954; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1768 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.25722074; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1769 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.62965056; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_177 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.50788380; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1770 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.20243694; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1771 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.74211844; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1772 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.25441382; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2821 to 2840 of 4380
