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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): 1041 to 1060 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1949 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.48349415; eV | |||
 | 9-Apr-2025 | /clean surface_195 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.44939244; eV | |||
 | 9-Apr-2025 | /clean surface_1950 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.04937909; eV | |||
 | 9-Apr-2025 | /clean surface_1951 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.96972784; eV | |||
 | 9-Apr-2025 | /clean surface_1952 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.46412136; eV | |||
 | 9-Apr-2025 | /clean surface_1953 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.02850260; eV | |||
 | 9-Apr-2025 | /clean surface_1954 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.47659303; eV | |||
 | 9-Apr-2025 | /clean surface_1955 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.11772529; eV | |||
 | 9-Apr-2025 | /clean surface_1956 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.18087942; eV | |||
 | 9-Apr-2025 | /clean surface_1957 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.96098910; eV | |||
 | 9-Apr-2025 | /clean surface_1958 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.30359100; eV | |||
 | 9-Apr-2025 | /clean surface_1959 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.22383855; eV | |||
 | 9-Apr-2025 | /clean surface_196 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.01379618; eV | |||
 | 9-Apr-2025 | /clean surface_1960 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.07406451; eV | |||
 | 9-Apr-2025 | /clean surface_1961 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.28987129; eV | |||
 | 9-Apr-2025 | /clean surface_1963 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.87801793; eV | |||
 | 9-Apr-2025 | /clean surface_1964 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.70233439; eV | |||
 | 9-Apr-2025 | /clean surface_1965 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.61009755; eV | |||
 | 9-Apr-2025 | /clean surface_1966 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.03522017; eV | |||
 | 9-Apr-2025 | /clean surface_1967 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.59218251; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1041 to 1060 of 4380
