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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): 701 to 720 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_164 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.67504026; eV | |||
 | 9-Apr-2025 | /clean surface_1640 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.75773959; eV | |||
 | 9-Apr-2025 | /clean surface_1641 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.00519738; eV | |||
 | 9-Apr-2025 | /clean surface_1642 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.92724947; eV | |||
 | 9-Apr-2025 | /clean surface_1643 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.52318927; eV | |||
 | 9-Apr-2025 | /clean surface_1644 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.26250344; eV | |||
 | 9-Apr-2025 | /clean surface_1645 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.01563580; eV | |||
 | 9-Apr-2025 | /clean surface_1646 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.35293641; eV | |||
 | 9-Apr-2025 | /clean surface_1647 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.60115997; eV | |||
 | 9-Apr-2025 | /clean surface_1648 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.65734701; eV | |||
 | 9-Apr-2025 | /clean surface_1649 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.49483438; eV | |||
 | 9-Apr-2025 | /clean surface_165 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.33074155; eV | |||
 | 9-Apr-2025 | /clean surface_1650 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.84524540; eV | |||
 | 9-Apr-2025 | /clean surface_1651 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.25557671; eV | |||
 | 9-Apr-2025 | /clean surface_1652 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.07007865; eV | |||
 | 9-Apr-2025 | /clean surface_1653 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.91524285; eV | |||
 | 9-Apr-2025 | /clean surface_1654 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.15694598; eV | |||
 | 9-Apr-2025 | /clean surface_1655 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.29175476; eV | |||
 | 9-Apr-2025 | /clean surface_1656 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.82337603; eV | |||
 | 9-Apr-2025 | /clean surface_1657 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.48415615; eV |
Collection's Items (Sorted by Submit Date in Descending order): 701 to 720 of 4380
