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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): 641 to 660 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1586 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.63674111; eV | |||
 | 9-Apr-2025 | /clean surface_1587 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.11132614; eV | |||
 | 9-Apr-2025 | /clean surface_1588 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.56416711; eV | |||
 | 9-Apr-2025 | /clean surface_1589 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.72938340; eV | |||
 | 9-Apr-2025 | /clean surface_159 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.87555859; eV | |||
 | 9-Apr-2025 | /clean surface_1590 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.29883449; eV | |||
 | 9-Apr-2025 | /clean surface_1591 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.89732513; eV | |||
 | 9-Apr-2025 | /clean surface_1592 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.76996620; eV | |||
 | 9-Apr-2025 | /clean surface_1593 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.58119057; eV | |||
 | 9-Apr-2025 | /clean surface_1594 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.66338573; eV | |||
 | 9-Apr-2025 | /clean surface_1595 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.46602226; eV | |||
 | 9-Apr-2025 | /clean surface_1596 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.07708218; eV | |||
 | 9-Apr-2025 | /clean surface_1597 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.39464262; eV | |||
 | 9-Apr-2025 | /clean surface_1598 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.12633566; eV | |||
 | 9-Apr-2025 | /clean surface_1599 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.11302700; eV | |||
 | 9-Apr-2025 | /clean surface_16 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19031903; eV | |||
 | 9-Apr-2025 | /clean surface_160 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95405606; eV | |||
 | 9-Apr-2025 | /clean surface_1600 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.80212895; eV | |||
 | 9-Apr-2025 | /clean surface_1601 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.48046245; eV | |||
 | 9-Apr-2025 | /clean surface_1602 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.21676998; eV |
Collection's Items (Sorted by Submit Date in Descending order): 641 to 660 of 4380
