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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): 1441 to 1460 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_511 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.38420242; eV | |||
 | 9-Apr-2025 | /clean surface_512 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.71430724; eV | |||
 | 9-Apr-2025 | /clean surface_513 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.44199413; eV | |||
 | 9-Apr-2025 | /clean surface_514 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.38688858; eV | |||
 | 9-Apr-2025 | /clean surface_515 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.46714891; eV | |||
 | 9-Apr-2025 | /clean surface_516 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.36948778; eV | |||
 | 9-Apr-2025 | /clean surface_517 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.68690379; eV | |||
 | 9-Apr-2025 | /clean surface_518 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.87100489; eV | |||
 | 9-Apr-2025 | /clean surface_519 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.88643816; eV | |||
 | 9-Apr-2025 | /clean surface_52 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.76258216; eV | |||
 | 9-Apr-2025 | /clean surface_520 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19078071; eV | |||
 | 9-Apr-2025 | /clean surface_521 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.65603417; eV | |||
 | 9-Apr-2025 | /clean surface_522 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95821621; eV | |||
 | 9-Apr-2025 | /clean surface_523 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.68231306; eV | |||
 | 9-Apr-2025 | /clean surface_524 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50449499; eV | |||
 | 9-Apr-2025 | /clean surface_525 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.55037880; eV | |||
 | 9-Apr-2025 | /clean surface_526 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89301145; eV | |||
 | 9-Apr-2025 | /clean surface_527 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.55429641; eV | |||
 | 9-Apr-2025 | /clean surface_528 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.11941246; eV | |||
 | 9-Apr-2025 | /clean surface_529 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.30981840; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1441 to 1460 of 4380
