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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): 881 to 900 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1801 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.08131996; eV | |||
 | 9-Apr-2025 | /clean surface_1802 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.94138256; eV | |||
 | 9-Apr-2025 | /clean surface_1803 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.62054206; eV | |||
 | 9-Apr-2025 | /clean surface_1804 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.68937541; eV | |||
 | 9-Apr-2025 | /clean surface_1805 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.31398494; eV | |||
 | 9-Apr-2025 | /clean surface_1806 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.28506640; eV | |||
 | 9-Apr-2025 | /clean surface_1807 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.37784438; eV | |||
 | 9-Apr-2025 | /clean surface_1808 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.02356681; eV | |||
 | 9-Apr-2025 | /clean surface_1809 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.96812534; eV | |||
 | 9-Apr-2025 | /clean surface_181 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89645162; eV | |||
 | 9-Apr-2025 | /clean surface_1810 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -424.13816514; eV | |||
 | 9-Apr-2025 | /clean surface_1811 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.00948010; eV | |||
 | 9-Apr-2025 | /clean surface_1812 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.42224767; eV | |||
 | 9-Apr-2025 | /clean surface_1813 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.15410920; eV | |||
 | 9-Apr-2025 | /clean surface_1814 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.57464197; eV | |||
 | 9-Apr-2025 | /clean surface_1815 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.84190756; eV | |||
 | 9-Apr-2025 | /clean surface_1816 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.14485977; eV | |||
 | 9-Apr-2025 | /clean surface_1817 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.88235246; eV | |||
 | 9-Apr-2025 | /clean surface_1818 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.02305644; eV | |||
 | 9-Apr-2025 | /clean surface_1819 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.35141162; eV |
Collection's Items (Sorted by Submit Date in Descending order): 881 to 900 of 4380
