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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): 981 to 1000 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1893 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.63263318; eV | |||
 | 9-Apr-2025 | /clean surface_1894 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.95177037; eV | |||
 | 9-Apr-2025 | /clean surface_1895 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.34546041; eV | |||
 | 9-Apr-2025 | /clean surface_1896 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.60042125; eV | |||
 | 9-Apr-2025 | /clean surface_1897 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.10916554; eV | |||
 | 9-Apr-2025 | /clean surface_1898 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.42355781; eV | |||
 | 9-Apr-2025 | /clean surface_1899 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.53549535; eV | |||
 | 9-Apr-2025 | /clean surface_19 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.19030019; eV | |||
 | 9-Apr-2025 | /clean surface_190 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.71531481; eV | |||
 | 9-Apr-2025 | /clean surface_1900 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.40377678; eV | |||
 | 9-Apr-2025 | /clean surface_1901 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.39357079; eV | |||
 | 9-Apr-2025 | /clean surface_1902 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.27974865; eV | |||
 | 9-Apr-2025 | /clean surface_1903 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.15334144; eV | |||
 | 9-Apr-2025 | /clean surface_1904 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.49095083; eV | |||
 | 9-Apr-2025 | /clean surface_1905 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.31412386; eV | |||
 | 9-Apr-2025 | /clean surface_1906 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.85939198; eV | |||
 | 9-Apr-2025 | /clean surface_1907 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.86565596; eV | |||
 | 9-Apr-2025 | /clean surface_1908 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.38625276; eV | |||
 | 9-Apr-2025 | /clean surface_1909 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.55325141; eV | |||
 | 9-Apr-2025 | /clean surface_191 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50638123; eV |
Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 4380
