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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): 2021 to 2040 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_1033 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.24852983; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1034 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.72408879; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1035 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.51615860; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1036 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.83757199; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1037 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.60852819; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1038 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.02893788; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1039 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.28794924; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_104 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.68445472; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1040 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.25337433; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1041 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.85701092; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1042 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.83700154; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1043 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.27259721; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1044 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.03971291; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1045 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.57150585; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1046 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.12583643; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1047 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.12662865; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1048 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.39686142; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1049 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.06877766; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_105 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.22312494; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1050 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.28311893; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2021 to 2040 of 4380
