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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): 2481 to 2500 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_1448 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.96553575; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1449 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.07124330; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_145 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.75777932; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1450 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.18680288; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1451 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.86869660; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1452 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.71373328; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1453 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.45902038; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1454 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.69710754; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1455 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.74975689; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1456 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.17586448; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1457 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.17321953; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1458 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.81773169; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1459 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.60063494; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_146 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.42077856; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1460 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.24394386; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1461 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.74849697; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1462 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.89249849; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1463 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.46482063; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1464 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.33045627; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1465 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.94632022; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2481 to 2500 of 4380
