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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): 61 to 80 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1052 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.45342395; eV | |||
 | 9-Apr-2025 | /clean surface_1053 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.21017088; eV | |||
 | 9-Apr-2025 | /clean surface_1054 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.73165193; eV | |||
 | 9-Apr-2025 | /clean surface_1055 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.20157689; eV | |||
 | 9-Apr-2025 | /clean surface_1056 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.21540742; eV | |||
 | 9-Apr-2025 | /clean surface_1057 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.18642479; eV | |||
 | 9-Apr-2025 | /clean surface_1058 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.51707322; eV | |||
 | 9-Apr-2025 | /clean surface_1059 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.21016115; eV | |||
 | 9-Apr-2025 | /clean surface_106 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.86637929; eV | |||
 | 9-Apr-2025 | /clean surface_1060 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.36465998; eV | |||
 | 9-Apr-2025 | /clean surface_1061 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.54089477; eV | |||
 | 9-Apr-2025 | /clean surface_1062 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.31628296; eV | |||
 | 9-Apr-2025 | /clean surface_1063 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.80169845; eV | |||
 | 9-Apr-2025 | /clean surface_1064 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.89596444; eV | |||
 | 9-Apr-2025 | /clean surface_1065 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.17971772; eV | |||
 | 9-Apr-2025 | /clean surface_1066 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.48842579; eV | |||
 | 9-Apr-2025 | /clean surface_1067 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.87076159; eV | |||
 | 9-Apr-2025 | /clean surface_1068 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.73473191; eV | |||
 | 9-Apr-2025 | /clean surface_1069 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.19294675; eV | |||
 | 9-Apr-2025 | /clean surface_107 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.61197622; eV |
Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 4380
