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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): 1621 to 1640 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_674 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.66369678; eV | |||
 | 9-Apr-2025 | /clean surface_675 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.67605240; eV | |||
 | 9-Apr-2025 | /clean surface_676 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55665889; eV | |||
 | 9-Apr-2025 | /clean surface_677 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.17818627; eV | |||
 | 9-Apr-2025 | /clean surface_678 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.16017536; eV | |||
 | 9-Apr-2025 | /clean surface_679 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.84553657; eV | |||
 | 9-Apr-2025 | /clean surface_68 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.09424437; eV | |||
 | 9-Apr-2025 | /clean surface_680 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79917408; eV | |||
 | 9-Apr-2025 | /clean surface_681 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.44074538; eV | |||
 | 9-Apr-2025 | /clean surface_682 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.49277430; eV | |||
 | 9-Apr-2025 | /clean surface_683 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.27615665; eV | |||
 | 9-Apr-2025 | /clean surface_684 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.08422759; eV | |||
 | 9-Apr-2025 | /clean surface_685 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.47130070; eV | |||
 | 9-Apr-2025 | /clean surface_686 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.31654759; eV | |||
 | 9-Apr-2025 | /clean surface_687 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.87380191; eV | |||
 | 9-Apr-2025 | /clean surface_688 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.45702649; eV | |||
 | 9-Apr-2025 | /clean surface_689 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.84870251; eV | |||
 | 9-Apr-2025 | /clean surface_69 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.93188613; eV | |||
 | 9-Apr-2025 | /clean surface_690 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.45354251; eV | |||
 | 9-Apr-2025 | /clean surface_691 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.33769914; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1621 to 1640 of 4380
