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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): 1321 to 1340 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_403 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.77521977; eV | |||
 | 9-Apr-2025 | /clean surface_404 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.00999337; eV | |||
 | 9-Apr-2025 | /clean surface_405 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.50237480; eV | |||
 | 9-Apr-2025 | /clean surface_406 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.67585302; eV | |||
 | 9-Apr-2025 | /clean surface_407 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.48591711; eV | |||
 | 9-Apr-2025 | /clean surface_408 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.23899464; eV | |||
 | 9-Apr-2025 | /clean surface_409 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.45416082; eV | |||
 | 9-Apr-2025 | /clean surface_41 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.49232410; eV | |||
 | 9-Apr-2025 | /clean surface_410 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.80806446; eV | |||
 | 9-Apr-2025 | /clean surface_411 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.44936746; eV | |||
 | 9-Apr-2025 | /clean surface_412 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.88848692; eV | |||
 | 9-Apr-2025 | /clean surface_413 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.57653700; eV | |||
 | 9-Apr-2025 | /clean surface_414 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.64141706; eV | |||
 | 9-Apr-2025 | /clean surface_415 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01635749; eV | |||
 | 9-Apr-2025 | /clean surface_416 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.13749562; eV | |||
 | 9-Apr-2025 | /clean surface_417 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.95784653; eV | |||
 | 9-Apr-2025 | /clean surface_418 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.35229175; eV | |||
 | 9-Apr-2025 | /clean surface_419 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.69950416; eV | |||
 | 9-Apr-2025 | /clean surface_42 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.04661215; eV | |||
 | 9-Apr-2025 | /clean surface_420 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15886339; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1321 to 1340 of 4380
