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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): 1361 to 1380 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_44 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.13763120; eV | |||
 | 9-Apr-2025 | /clean surface_440 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.91325592; eV | |||
 | 9-Apr-2025 | /clean surface_441 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -420.99284458; eV | |||
 | 9-Apr-2025 | /clean surface_442 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.85665334; eV | |||
 | 9-Apr-2025 | /clean surface_443 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.15712046; eV | |||
 | 9-Apr-2025 | /clean surface_444 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.75124197; eV | |||
 | 9-Apr-2025 | /clean surface_445 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.13393983; eV | |||
 | 9-Apr-2025 | /clean surface_446 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.57593530; eV | |||
 | 9-Apr-2025 | /clean surface_447 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.13867181; eV | |||
 | 9-Apr-2025 | /clean surface_448 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.19502915; eV | |||
 | 9-Apr-2025 | /clean surface_449 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85108451; eV | |||
 | 9-Apr-2025 | /clean surface_45 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.64299854; eV | |||
 | 9-Apr-2025 | /clean surface_450 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.87251888; eV | |||
 | 9-Apr-2025 | /clean surface_451 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.79168847; eV | |||
 | 9-Apr-2025 | /clean surface_452 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.04426330; eV | |||
 | 9-Apr-2025 | /clean surface_453 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.63173520; eV | |||
 | 9-Apr-2025 | /clean surface_454 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.51603923; eV | |||
 | 9-Apr-2025 | /clean surface_455 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.32835124; eV | |||
 | 9-Apr-2025 | /clean surface_456 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.39656355; eV | |||
 | 9-Apr-2025 | /clean surface_457 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.49570384; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1361 to 1380 of 4380
