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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): 921 to 940 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1839 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.38898565; eV | |||
 | 9-Apr-2025 | /clean surface_184 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.30184285; eV | |||
 | 9-Apr-2025 | /clean surface_1840 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.80669755; eV | |||
 | 9-Apr-2025 | /clean surface_1841 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.04969229; eV | |||
 | 9-Apr-2025 | /clean surface_1842 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.11080716; eV | |||
 | 9-Apr-2025 | /clean surface_1843 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.74492698; eV | |||
 | 9-Apr-2025 | /clean surface_1844 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.27916889; eV | |||
 | 9-Apr-2025 | /clean surface_1845 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.61826701; eV | |||
 | 9-Apr-2025 | /clean surface_1846 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.08466701; eV | |||
 | 9-Apr-2025 | /clean surface_1847 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.03846378; eV | |||
 | 9-Apr-2025 | /clean surface_1848 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.91958308; eV | |||
 | 9-Apr-2025 | /clean surface_1849 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.96570568; eV | |||
 | 9-Apr-2025 | /clean surface_185 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.21129793; eV | |||
 | 9-Apr-2025 | /clean surface_1850 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.52816125; eV | |||
 | 9-Apr-2025 | /clean surface_1851 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.13512881; eV | |||
 | 9-Apr-2025 | /clean surface_1852 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.93985028; eV | |||
 | 9-Apr-2025 | /clean surface_1853 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.24952023; eV | |||
 | 9-Apr-2025 | /clean surface_1854 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.71966213; eV | |||
 | 9-Apr-2025 | /clean surface_1855 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.89949894; eV | |||
 | 9-Apr-2025 | /clean surface_1856 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.29011748; eV |
Collection's Items (Sorted by Submit Date in Descending order): 921 to 940 of 4380
