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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): 901 to 920 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_182 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.40425649; eV | |||
 | 9-Apr-2025 | /clean surface_1820 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.14594689; eV | |||
 | 9-Apr-2025 | /clean surface_1821 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.27543044; eV | |||
 | 9-Apr-2025 | /clean surface_1822 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.69069335; eV | |||
 | 9-Apr-2025 | /clean surface_1823 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.24295925; eV | |||
 | 9-Apr-2025 | /clean surface_1824 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.89090073; eV | |||
 | 9-Apr-2025 | /clean surface_1825 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.62784952; eV | |||
 | 9-Apr-2025 | /clean surface_1826 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.63299808; eV | |||
 | 9-Apr-2025 | /clean surface_1827 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.14951575; eV | |||
 | 9-Apr-2025 | /clean surface_1828 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -421.86530787; eV | |||
 | 9-Apr-2025 | /clean surface_1829 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.15489128; eV | |||
 | 9-Apr-2025 | /clean surface_183 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.62139655; eV | |||
 | 9-Apr-2025 | /clean surface_1830 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.37407905; eV | |||
 | 9-Apr-2025 | /clean surface_1832 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.31960524; eV | |||
 | 9-Apr-2025 | /clean surface_1833 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.42840323; eV | |||
 | 9-Apr-2025 | /clean surface_1834 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.72246793; eV | |||
 | 9-Apr-2025 | /clean surface_1835 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.17293665; eV | |||
 | 9-Apr-2025 | /clean surface_1836 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -423.04956167; eV | |||
 | 9-Apr-2025 | /clean surface_1837 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.39381379; eV | |||
 | 9-Apr-2025 | /clean surface_1838 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -422.73218121; eV |
Collection's Items (Sorted by Submit Date in Descending order): 901 to 920 of 4380
