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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): 3021 to 3040 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_1935 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.74012241; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1936 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.30215579; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1937 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.30517746; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1938 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.07193133; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1939 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.99430994; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_194 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.97750659; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1940 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.54450934; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1941 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.56112562; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1942 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.19609889; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1943 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.08430352; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1944 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.03425904; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1945 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.36286935; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1946 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.35628009; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1947 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.92133611; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1948 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.72148010; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1949 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.43433800; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_195 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.04542056; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1950 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.11180567; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1951 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.93087911; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1952 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.09664472; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3021 to 3040 of 4380
