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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): 661 to 680 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1603 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.45475380; eV | |||
 | 9-Apr-2025 | /clean surface_1604 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.93051863; eV | |||
 | 9-Apr-2025 | /clean surface_1605 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.35560714; eV | |||
 | 9-Apr-2025 | /clean surface_1606 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.41204416; eV | |||
 | 9-Apr-2025 | /clean surface_1607 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.01791813; eV | |||
 | 9-Apr-2025 | /clean surface_1608 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.66102746; eV | |||
 | 9-Apr-2025 | /clean surface_1609 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.65597242; eV | |||
 | 9-Apr-2025 | /clean surface_161 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.50580937; eV | |||
 | 9-Apr-2025 | /clean surface_1610 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.62785794; eV | |||
 | 9-Apr-2025 | /clean surface_1611 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.84728742; eV | |||
 | 9-Apr-2025 | /clean surface_1612 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.02284933; eV | |||
 | 9-Apr-2025 | /clean surface_1613 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.47804354; eV | |||
 | 9-Apr-2025 | /clean surface_1614 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.57883736; eV | |||
 | 9-Apr-2025 | /clean surface_1615 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.48100673; eV | |||
 | 9-Apr-2025 | /clean surface_1616 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -420.88693396; eV | |||
 | 9-Apr-2025 | /clean surface_1617 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.03513301; eV | |||
 | 9-Apr-2025 | /clean surface_1618 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.97686931; eV | |||
 | 9-Apr-2025 | /clean surface_1619 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.94964257; eV | |||
 | 9-Apr-2025 | /clean surface_162 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79393719; eV | |||
 | 9-Apr-2025 | /clean surface_1620 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.48637679; eV |
Collection's Items (Sorted by Submit Date in Descending order): 661 to 680 of 4380
