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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): 1461 to 1480 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_53 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.22209502; eV | |||
 | 9-Apr-2025 | /clean surface_530 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.73866933; eV | |||
 | 9-Apr-2025 | /clean surface_531 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.28961940; eV | |||
 | 9-Apr-2025 | /clean surface_532 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.02932924; eV | |||
 | 9-Apr-2025 | /clean surface_533 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.78035257; eV | |||
 | 9-Apr-2025 | /clean surface_534 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.77210492; eV | |||
 | 9-Apr-2025 | /clean surface_535 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.05726588; eV | |||
 | 9-Apr-2025 | /clean surface_536 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01562419; eV | |||
 | 9-Apr-2025 | /clean surface_537 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01524866; eV | |||
 | 9-Apr-2025 | /clean surface_538 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.14933201; eV | |||
 | 9-Apr-2025 | /clean surface_539 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.39882512; eV | |||
 | 9-Apr-2025 | /clean surface_54 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.82566483; eV | |||
 | 9-Apr-2025 | /clean surface_540 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.99703596; eV | |||
 | 9-Apr-2025 | /clean surface_541 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.16835492; eV | |||
 | 9-Apr-2025 | /clean surface_542 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.02279692; eV | |||
 | 9-Apr-2025 | /clean surface_543 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.88735768; eV | |||
 | 9-Apr-2025 | /clean surface_544 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98756319; eV | |||
 | 9-Apr-2025 | /clean surface_545 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85622313; eV | |||
 | 9-Apr-2025 | /clean surface_546 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.10445920; eV | |||
 | 9-Apr-2025 | /clean surface_547 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.70702259; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1461 to 1480 of 4380
