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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): 1641 to 1660 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_692 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.86815787; eV | |||
 | 9-Apr-2025 | /clean surface_693 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50865675; eV | |||
 | 9-Apr-2025 | /clean surface_694 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.34416289; eV | |||
 | 9-Apr-2025 | /clean surface_695 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.30491756; eV | |||
 | 9-Apr-2025 | /clean surface_696 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.14988810; eV | |||
 | 9-Apr-2025 | /clean surface_697 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79829812; eV | |||
 | 9-Apr-2025 | /clean surface_698 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.23938988; eV | |||
 | 9-Apr-2025 | /clean surface_699 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.85500383; eV | |||
 | 9-Apr-2025 | /clean surface_7 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.10728399; eV | |||
 | 9-Apr-2025 | /clean surface_70 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.54050224; eV | |||
 | 9-Apr-2025 | /clean surface_700 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.32765908; eV | |||
 | 9-Apr-2025 | /clean surface_701 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66870192; eV | |||
 | 9-Apr-2025 | /clean surface_702 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.15139109; eV | |||
 | 9-Apr-2025 | /clean surface_703 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.84390696; eV | |||
 | 9-Apr-2025 | /clean surface_704 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.61849581; eV | |||
 | 9-Apr-2025 | /clean surface_705 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.00933867; eV | |||
 | 9-Apr-2025 | /clean surface_706 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.91755445; eV | |||
 | 9-Apr-2025 | /clean surface_707 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.29896043; eV | |||
 | 9-Apr-2025 | /clean surface_708 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20797312; eV | |||
 | 9-Apr-2025 | /clean surface_709 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.85763728; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1641 to 1660 of 4380
