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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): 2881 to 2900 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_1809 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.70300005; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_181 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.01317820; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1810 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -428.00249945; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1811 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.76238059; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1812 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.11056199; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1813 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.10625414; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1814 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.65551767; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1815 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.82480050; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1816 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.58320581; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1817 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.01074154; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1818 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.01630514; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1819 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.68001734; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_182 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.57874448; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1820 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.94034516; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1821 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.01922436; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1822 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.11772283; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1823 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.11724971; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1824 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.19266935; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1825 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.46681720; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1826 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.46093992; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2881 to 2900 of 4380
