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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): 181 to 200 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1160 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.97199226; eV | |||
 | 9-Apr-2025 | /clean surface_1161 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.48749735; eV | |||
 | 9-Apr-2025 | /clean surface_1162 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.02703541; eV | |||
 | 9-Apr-2025 | /clean surface_1163 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.97970474; eV | |||
 | 9-Apr-2025 | /clean surface_1164 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.84966532; eV | |||
 | 9-Apr-2025 | /clean surface_1165 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.74524019; eV | |||
 | 9-Apr-2025 | /clean surface_1166 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.80354336; eV | |||
 | 9-Apr-2025 | /clean surface_1167 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.97642295; eV | |||
 | 9-Apr-2025 | /clean surface_1168 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.44593769; eV | |||
 | 9-Apr-2025 | /clean surface_1169 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.77629112; eV | |||
 | 9-Apr-2025 | /clean surface_117 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.26454672; eV | |||
 | 9-Apr-2025 | /clean surface_1170 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.29629762; eV | |||
 | 9-Apr-2025 | /clean surface_1171 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.85523667; eV | |||
 | 9-Apr-2025 | /clean surface_1172 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.48208398; eV | |||
 | 9-Apr-2025 | /clean surface_1173 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.79683576; eV | |||
 | 9-Apr-2025 | /clean surface_1174 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.56671356; eV | |||
 | 9-Apr-2025 | /clean surface_1175 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.66869511; eV | |||
 | 9-Apr-2025 | /clean surface_1176 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.17351835; eV | |||
 | 9-Apr-2025 | /clean surface_1177 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.90190173; eV | |||
 | 9-Apr-2025 | /clean surface_1178 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.28826415; eV |
Collection's Items (Sorted by Submit Date in Descending order): 181 to 200 of 4380
