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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): 341 to 360 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1308 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.89383295; eV | |||
 | 9-Apr-2025 | /clean surface_1309 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.29937493; eV | |||
 | 9-Apr-2025 | /clean surface_131 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.16748583; eV | |||
 | 9-Apr-2025 | /clean surface_1310 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.92238605; eV | |||
 | 9-Apr-2025 | /clean surface_1311 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.91154824; eV | |||
 | 9-Apr-2025 | /clean surface_1312 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.38441720; eV | |||
 | 9-Apr-2025 | /clean surface_1313 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.25879747; eV | |||
 | 9-Apr-2025 | /clean surface_1314 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.85178482; eV | |||
 | 9-Apr-2025 | /clean surface_1315 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.74017152; eV | |||
 | 9-Apr-2025 | /clean surface_1316 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.88835374; eV | |||
 | 9-Apr-2025 | /clean surface_1317 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.41131702; eV | |||
 | 9-Apr-2025 | /clean surface_1318 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.93403474; eV | |||
 | 9-Apr-2025 | /clean surface_1319 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.97937698; eV | |||
 | 9-Apr-2025 | /clean surface_132 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.68309164; eV | |||
 | 9-Apr-2025 | /clean surface_1320 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.76437610; eV | |||
 | 9-Apr-2025 | /clean surface_1321 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.53177033; eV | |||
 | 9-Apr-2025 | /clean surface_1322 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.67890965; eV | |||
 | 9-Apr-2025 | /clean surface_1323 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.17197624; eV | |||
 | 9-Apr-2025 | /clean surface_1324 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.60759007; eV | |||
 | 9-Apr-2025 | /clean surface_1325 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.74465615; eV |
Collection's Items (Sorted by Submit Date in Descending order): 341 to 360 of 4380
