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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): 41 to 60 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1034 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.55824245; eV | |||
 | 9-Apr-2025 | /clean surface_1035 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.01317155; eV | |||
 | 9-Apr-2025 | /clean surface_1036 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.14663261; eV | |||
 | 9-Apr-2025 | /clean surface_1037 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.67581219; eV | |||
 | 9-Apr-2025 | /clean surface_1038 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.40218421; eV | |||
 | 9-Apr-2025 | /clean surface_1039 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.97174226; eV | |||
 | 9-Apr-2025 | /clean surface_104 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.51288907; eV | |||
 | 9-Apr-2025 | /clean surface_1040 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.87675407; eV | |||
 | 9-Apr-2025 | /clean surface_1041 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.07774945; eV | |||
 | 9-Apr-2025 | /clean surface_1042 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.59015799; eV | |||
 | 9-Apr-2025 | /clean surface_1043 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.62762883; eV | |||
 | 9-Apr-2025 | /clean surface_1044 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -420.85080738; eV | |||
 | 9-Apr-2025 | /clean surface_1045 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.91340501; eV | |||
 | 9-Apr-2025 | /clean surface_1046 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.05462573; eV | |||
 | 9-Apr-2025 | /clean surface_1047 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.67630120; eV | |||
 | 9-Apr-2025 | /clean surface_1048 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.44319321; eV | |||
 | 9-Apr-2025 | /clean surface_1049 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.25889835; eV | |||
 | 9-Apr-2025 | /clean surface_105 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.16722025; eV | |||
 | 9-Apr-2025 | /clean surface_1050 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -420.90374864; eV | |||
 | 9-Apr-2025 | /clean surface_1051 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.89889860; eV |
Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 4380
