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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): 1061 to 1080 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1968 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.70721909; eV | |||
 | 9-Apr-2025 | /clean surface_1969 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.69306991; eV | |||
 | 9-Apr-2025 | /clean surface_197 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20047682; eV | |||
 | 9-Apr-2025 | /clean surface_1970 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.98395235; eV | |||
 | 9-Apr-2025 | /clean surface_1971 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.30129338; eV | |||
 | 9-Apr-2025 | /clean surface_1972 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.72137388; eV | |||
 | 9-Apr-2025 | /clean surface_1974 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.82205612; eV | |||
 | 9-Apr-2025 | /clean surface_1975 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.19064349; eV | |||
 | 9-Apr-2025 | /clean surface_1976 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.64323399; eV | |||
 | 9-Apr-2025 | /clean surface_1977 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.78459823; eV | |||
 | 9-Apr-2025 | /clean surface_198 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.01593274; eV | |||
 | 9-Apr-2025 | /clean surface_1980 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.17619866; eV | |||
 | 9-Apr-2025 | /clean surface_1981 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.59897890; eV | |||
 | 9-Apr-2025 | /clean surface_1982 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.87840873; eV | |||
 | 9-Apr-2025 | /clean surface_1983 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.90036368; eV | |||
 | 9-Apr-2025 | /clean surface_1984 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.08049164; eV | |||
 | 9-Apr-2025 | /clean surface_1985 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.01554239; eV | |||
 | 9-Apr-2025 | /clean surface_1986 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.17645903; eV | |||
 | 9-Apr-2025 | /clean surface_1987 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.11699160; eV | |||
 | 9-Apr-2025 | /clean surface_1988 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.60215738; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 4380
