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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): 2701 to 2720 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_1646 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.48186399; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1647 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.53110903; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1648 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.92510782; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1649 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.39619170; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_165 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.32777600; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1650 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.96955055; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1651 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.04991604; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1652 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.84083230; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1653 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -428.06314921; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1654 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.91051367; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1655 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.57801583; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1656 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.69341728; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1657 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.12566906; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1658 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.27806066; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1659 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.98148868; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_166 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.39310299; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1660 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.71197055; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1661 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.05353480; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1662 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.18160155; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1663 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.17069563; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2701 to 2720 of 4380
