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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): 601 to 620 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_155 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19477930; eV | |||
 | 9-Apr-2025 | /clean surface_1550 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.90661008; eV | |||
 | 9-Apr-2025 | /clean surface_1551 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.60839339; eV | |||
 | 9-Apr-2025 | /clean surface_1552 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.86377599; eV | |||
 | 9-Apr-2025 | /clean surface_1553 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.57640428; eV | |||
 | 9-Apr-2025 | /clean surface_1554 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.87071701; eV | |||
 | 9-Apr-2025 | /clean surface_1555 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.73439211; eV | |||
 | 9-Apr-2025 | /clean surface_1556 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.97115747; eV | |||
 | 9-Apr-2025 | /clean surface_1557 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.80635270; eV | |||
 | 9-Apr-2025 | /clean surface_1558 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.13781585; eV | |||
 | 9-Apr-2025 | /clean surface_1559 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.21355317; eV | |||
 | 9-Apr-2025 | /clean surface_156 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.25450534; eV | |||
 | 9-Apr-2025 | /clean surface_1560 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.81625510; eV | |||
 | 9-Apr-2025 | /clean surface_1561 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.02367726; eV | |||
 | 9-Apr-2025 | /clean surface_1562 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.12303055; eV | |||
 | 9-Apr-2025 | /clean surface_1563 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.97212760; eV | |||
 | 9-Apr-2025 | /clean surface_1564 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.02366198; eV | |||
 | 9-Apr-2025 | /clean surface_1565 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.42463567; eV | |||
 | 9-Apr-2025 | /clean surface_1566 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.80960106; eV | |||
 | 9-Apr-2025 | /clean surface_1567 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.65765375; eV |
Collection's Items (Sorted by Submit Date in Descending order): 601 to 620 of 4380
