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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): 3041 to 3060 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_1953 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.03351907; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1954 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.29306506; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1955 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.86735130; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1956 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.27126672; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1957 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.93153659; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1958 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.53801243; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1959 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.23431475; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_196 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.68980258; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1960 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.21690902; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1961 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.47319975; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1962 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.24658938; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1963 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.13265314; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1964 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.18394622; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1965 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.17746785; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1966 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.71463794; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1967 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.68902346; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1968 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.22780476; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1969 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.56265757; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_197 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.25284320; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1970 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.71971364; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3041 to 3060 of 4380
