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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): 3061 to 3080 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_1971 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.70893701; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1972 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.63407544; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1973 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.50770279; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1974 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.84327737; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1975 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.07298776; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1976 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.47019898; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1977 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.64550630; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1978 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.52035810; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1979 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.80825627; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_198 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.72955573; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1980 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.77237162; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1981 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.72663558; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1982 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.72223058; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1983 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.63908901; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1984 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.01232119; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1985 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.94623385; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1986 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.87909346; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1987 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.45599873; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1988 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.50552646; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1989 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.18903457; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3061 to 3080 of 4380
