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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): 201 to 220 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1179 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.28911278; eV | |||
 | 9-Apr-2025 | /clean surface_118 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.17305981; eV | |||
 | 9-Apr-2025 | /clean surface_1180 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.83410215; eV | |||
 | 9-Apr-2025 | /clean surface_1181 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.26989635; eV | |||
 | 9-Apr-2025 | /clean surface_1182 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.81586628; eV | |||
 | 9-Apr-2025 | /clean surface_1183 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.21113720; eV | |||
 | 9-Apr-2025 | /clean surface_1184 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.43616209; eV | |||
 | 9-Apr-2025 | /clean surface_1185 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.93972892; eV | |||
 | 9-Apr-2025 | /clean surface_1186 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.65462613; eV | |||
 | 9-Apr-2025 | /clean surface_1187 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.61847815; eV | |||
 | 9-Apr-2025 | /clean surface_1188 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.01240782; eV | |||
 | 9-Apr-2025 | /clean surface_119 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.67637549; eV | |||
 | 9-Apr-2025 | /clean surface_1190 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.88443128; eV | |||
 | 9-Apr-2025 | /clean surface_1191 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.73604229; eV | |||
 | 9-Apr-2025 | /clean surface_1192 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.07231701; eV | |||
 | 9-Apr-2025 | /clean surface_1193 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.19252802; eV | |||
 | 9-Apr-2025 | /clean surface_1194 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.96568793; eV | |||
 | 9-Apr-2025 | /clean surface_1195 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.28154295; eV | |||
 | 9-Apr-2025 | /clean surface_1196 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.22088535; eV | |||
 | 9-Apr-2025 | /clean surface_1197 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.61036519; eV |
Collection's Items (Sorted by Submit Date in Descending order): 201 to 220 of 4380
