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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): 581 to 600 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1531 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.37014685; eV | |||
 | 9-Apr-2025 | /clean surface_1532 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.76596972; eV | |||
 | 9-Apr-2025 | /clean surface_1533 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.98660347; eV | |||
 | 9-Apr-2025 | /clean surface_1534 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.07041585; eV | |||
 | 9-Apr-2025 | /clean surface_1535 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.97851238; eV | |||
 | 9-Apr-2025 | /clean surface_1536 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.44871197; eV | |||
 | 9-Apr-2025 | /clean surface_1537 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.04616152; eV | |||
 | 9-Apr-2025 | /clean surface_1538 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.85272926; eV | |||
 | 9-Apr-2025 | /clean surface_1539 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.08772237; eV | |||
 | 9-Apr-2025 | /clean surface_154 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.86891479; eV | |||
 | 9-Apr-2025 | /clean surface_1540 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.44668870; eV | |||
 | 9-Apr-2025 | /clean surface_1541 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.79817763; eV | |||
 | 9-Apr-2025 | /clean surface_1542 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.85670603; eV | |||
 | 9-Apr-2025 | /clean surface_1543 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.27732299; eV | |||
 | 9-Apr-2025 | /clean surface_1544 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.53072732; eV | |||
 | 9-Apr-2025 | /clean surface_1545 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.62603601; eV | |||
 | 9-Apr-2025 | /clean surface_1546 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.05734165; eV | |||
 | 9-Apr-2025 | /clean surface_1547 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.77539241; eV | |||
 | 9-Apr-2025 | /clean surface_1548 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.05242038; eV | |||
 | 9-Apr-2025 | /clean surface_1549 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.69366867; eV |
Collection's Items (Sorted by Submit Date in Descending order): 581 to 600 of 4380
