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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): 1021 to 1040 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1930 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.25028872; eV | |||
 | 9-Apr-2025 | /clean surface_1931 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.29425771; eV | |||
 | 9-Apr-2025 | /clean surface_1932 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.35218906; eV | |||
 | 9-Apr-2025 | /clean surface_1933 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.34144541; eV | |||
 | 9-Apr-2025 | /clean surface_1934 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.80833813; eV | |||
 | 9-Apr-2025 | /clean surface_1935 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -420.47245053; eV | |||
 | 9-Apr-2025 | /clean surface_1936 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.61938851; eV | |||
 | 9-Apr-2025 | /clean surface_1937 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.46869803; eV | |||
 | 9-Apr-2025 | /clean surface_1938 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.27799618; eV | |||
 | 9-Apr-2025 | /clean surface_1939 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.85030286; eV | |||
 | 9-Apr-2025 | /clean surface_194 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.12937732; eV | |||
 | 9-Apr-2025 | /clean surface_1940 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.11090813; eV | |||
 | 9-Apr-2025 | /clean surface_1941 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.56044887; eV | |||
 | 9-Apr-2025 | /clean surface_1942 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.37987300; eV | |||
 | 9-Apr-2025 | /clean surface_1943 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.92521396; eV | |||
 | 9-Apr-2025 | /clean surface_1944 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.94333692; eV | |||
 | 9-Apr-2025 | /clean surface_1945 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65650501; eV | |||
 | 9-Apr-2025 | /clean surface_1946 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.52929136; eV | |||
 | 9-Apr-2025 | /clean surface_1947 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.93028893; eV | |||
 | 9-Apr-2025 | /clean surface_1948 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.14787654; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1021 to 1040 of 4380
