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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): 561 to 580 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1513 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.31349864; eV | |||
 | 9-Apr-2025 | /clean surface_1514 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.72687439; eV | |||
 | 9-Apr-2025 | /clean surface_1515 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.49249691; eV | |||
 | 9-Apr-2025 | /clean surface_1516 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.77943029; eV | |||
 | 9-Apr-2025 | /clean surface_1517 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.97959511; eV | |||
 | 9-Apr-2025 | /clean surface_1518 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.10642980; eV | |||
 | 9-Apr-2025 | /clean surface_1519 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.00430485; eV | |||
 | 9-Apr-2025 | /clean surface_152 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.64269290; eV | |||
 | 9-Apr-2025 | /clean surface_1520 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.16914860; eV | |||
 | 9-Apr-2025 | /clean surface_1521 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.36016247; eV | |||
 | 9-Apr-2025 | /clean surface_1522 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.20018677; eV | |||
 | 9-Apr-2025 | /clean surface_1523 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.93329435; eV | |||
 | 9-Apr-2025 | /clean surface_1524 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.02947094; eV | |||
 | 9-Apr-2025 | /clean surface_1525 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.17005791; eV | |||
 | 9-Apr-2025 | /clean surface_1526 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.02694251; eV | |||
 | 9-Apr-2025 | /clean surface_1527 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.87163405; eV | |||
 | 9-Apr-2025 | /clean surface_1528 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.48273899; eV | |||
 | 9-Apr-2025 | /clean surface_1529 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.76521341; eV | |||
 | 9-Apr-2025 | /clean surface_153 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.63366783; eV | |||
 | 9-Apr-2025 | /clean surface_1530 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.42760282; eV |
Collection's Items (Sorted by Submit Date in Descending order): 561 to 580 of 4380
