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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): 1581 to 1600 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_638 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.01363958; eV | |||
 | 9-Apr-2025 | /clean surface_639 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.29120885; eV | |||
 | 9-Apr-2025 | /clean surface_64 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.24998881; eV | |||
 | 9-Apr-2025 | /clean surface_640 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.92237119; eV | |||
 | 9-Apr-2025 | /clean surface_641 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85704191; eV | |||
 | 9-Apr-2025 | /clean surface_642 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.72661671; eV | |||
 | 9-Apr-2025 | /clean surface_643 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.39385005; eV | |||
 | 9-Apr-2025 | /clean surface_644 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.53810473; eV | |||
 | 9-Apr-2025 | /clean surface_645 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.28042664; eV | |||
 | 9-Apr-2025 | /clean surface_646 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.47160190; eV | |||
 | 9-Apr-2025 | /clean surface_647 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.02913318; eV | |||
 | 9-Apr-2025 | /clean surface_648 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.33168827; eV | |||
 | 9-Apr-2025 | /clean surface_649 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.95303079; eV | |||
 | 9-Apr-2025 | /clean surface_65 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65618510; eV | |||
 | 9-Apr-2025 | /clean surface_650 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.09526397; eV | |||
 | 9-Apr-2025 | /clean surface_651 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.60985276; eV | |||
 | 9-Apr-2025 | /clean surface_652 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.54244025; eV | |||
 | 9-Apr-2025 | /clean surface_653 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.29387129; eV | |||
 | 9-Apr-2025 | /clean surface_654 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.92085662; eV | |||
 | 9-Apr-2025 | /clean surface_655 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.41670281; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1581 to 1600 of 4380
