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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): 3001 to 3020 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_1917 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.29910702; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1918 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.34678996; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1919 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.42005125; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_192 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.19477271; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1920 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.01040478; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1921 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.99278753; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1922 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.99324909; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1923 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.70987187; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1924 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.22325741; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1925 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.88949155; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1926 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.23619362; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1927 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.96740823; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1928 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.52089588; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1929 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.25600741; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_193 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.16887775; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1930 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.10545353; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1931 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.99073440; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1932 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.04780831; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1933 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.93768993; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1934 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.49907664; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3001 to 3020 of 4380
