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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): 2441 to 2460 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_1411 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.89651108; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1412 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.50797169; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1413 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.62848223; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1414 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.65821380; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1415 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.73998788; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1416 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.72584460; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1417 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.54152640; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1418 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.72401568; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1419 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.66446971; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_142 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.65835504; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1420 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.30275411; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1421 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.57751773; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1422 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.18262192; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1423 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.60675882; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1424 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.04804976; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1425 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.18631720; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1426 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.23136086; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1427 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.83070857; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1428 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.47922458; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1429 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.82183461; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2441 to 2460 of 4380
