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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): 2461 to 2480 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_143 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.35272815; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1430 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.72258493; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1431 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.51163919; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1432 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.05289975; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1433 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.34201596; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1434 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.40707992; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1435 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.48593804; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1436 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.40206192; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1437 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.07177834; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1438 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.72562713; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1439 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.92974483; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_144 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.14904255; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1440 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.92292639; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1441 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.34503442; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1442 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.84638826; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1443 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.16932656; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1444 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.61060831; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1445 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.73926101; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1446 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.67767570; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1447 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.09791658; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2461 to 2480 of 4380
