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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): 21 to 40 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1016 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.69997068; eV | |||
 | 9-Apr-2025 | /clean surface_1017 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.87304478; eV | |||
 | 9-Apr-2025 | /clean surface_1018 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.36850502; eV | |||
 | 9-Apr-2025 | /clean surface_1019 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.99353273; eV | |||
 | 9-Apr-2025 | /clean surface_102 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.24244931; eV | |||
 | 9-Apr-2025 | /clean surface_1020 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.32205642; eV | |||
 | 9-Apr-2025 | /clean surface_1021 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.03988148; eV | |||
 | 9-Apr-2025 | /clean surface_1022 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.46259850; eV | |||
 | 9-Apr-2025 | /clean surface_1023 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.48126683; eV | |||
 | 9-Apr-2025 | /clean surface_1024 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.52003148; eV | |||
 | 9-Apr-2025 | /clean surface_1025 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.62385802; eV | |||
 | 9-Apr-2025 | /clean surface_1026 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.66111728; eV | |||
 | 9-Apr-2025 | /clean surface_1027 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.39904610; eV | |||
 | 9-Apr-2025 | /clean surface_1028 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.73359493; eV | |||
 | 9-Apr-2025 | /clean surface_1029 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.46706633; eV | |||
 | 9-Apr-2025 | /clean surface_103 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.63645865; eV | |||
 | 9-Apr-2025 | /clean surface_1030 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.55953393; eV | |||
 | 9-Apr-2025 | /clean surface_1031 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.86593253; eV | |||
 | 9-Apr-2025 | /clean surface_1032 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.08995157; eV | |||
 | 9-Apr-2025 | /clean surface_1033 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.30548437; eV |
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 4380
