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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): 1981 to 2000 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_999 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.90937187; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20192092; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_10 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.62035371; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_100 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.16837745; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1000 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.54641552; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1001 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.90963811; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1002 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -428.02512458; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1003 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.44955851; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1004 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.21189774; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1005 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -428.02170450; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1006 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.94486658; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1007 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.14161269; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1008 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.88270875; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1009 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.18420084; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_101 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.62446007; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1010 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.76505649; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1011 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.67743768; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1012 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.64216524; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1013 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.08886099; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1014 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.67636443; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1981 to 2000 of 4380
