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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): 741 to 760 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1676 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.90032772; eV | |||
 | 9-Apr-2025 | /clean surface_1677 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.99092852; eV | |||
 | 9-Apr-2025 | /clean surface_1678 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.89802282; eV | |||
 | 9-Apr-2025 | /clean surface_1679 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.32672463; eV | |||
 | 9-Apr-2025 | /clean surface_168 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.89295666; eV | |||
 | 9-Apr-2025 | /clean surface_1680 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.94993430; eV | |||
 | 9-Apr-2025 | /clean surface_1681 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.64331499; eV | |||
 | 9-Apr-2025 | /clean surface_1682 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.36755231; eV | |||
 | 9-Apr-2025 | /clean surface_1683 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.70632213; eV | |||
 | 9-Apr-2025 | /clean surface_1684 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.49354379; eV | |||
 | 9-Apr-2025 | /clean surface_1685 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.97658048; eV | |||
 | 9-Apr-2025 | /clean surface_1686 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.80159445; eV | |||
 | 9-Apr-2025 | /clean surface_1687 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.64255493; eV | |||
 | 9-Apr-2025 | /clean surface_1688 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.47300021; eV | |||
 | 9-Apr-2025 | /clean surface_1689 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.09470734; eV | |||
 | 9-Apr-2025 | /clean surface_169 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01929872; eV | |||
 | 9-Apr-2025 | /clean surface_1690 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.20741515; eV | |||
 | 9-Apr-2025 | /clean surface_1691 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.27114750; eV | |||
 | 9-Apr-2025 | /clean surface_1692 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.26105010; eV | |||
 | 9-Apr-2025 | /clean surface_1693 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.39302628; eV |
Collection's Items (Sorted by Submit Date in Descending order): 741 to 760 of 4380
