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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): 361 to 380 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1326 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.32645459; eV | |||
 | 9-Apr-2025 | /clean surface_1327 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.90574567; eV | |||
 | 9-Apr-2025 | /clean surface_1328 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.05688970; eV | |||
 | 9-Apr-2025 | /clean surface_1329 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.67725020; eV | |||
 | 9-Apr-2025 | /clean surface_133 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.30890469; eV | |||
 | 9-Apr-2025 | /clean surface_1330 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.14308604; eV | |||
 | 9-Apr-2025 | /clean surface_1331 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.56328520; eV | |||
 | 9-Apr-2025 | /clean surface_1332 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.13798212; eV | |||
 | 9-Apr-2025 | /clean surface_1333 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.64764808; eV | |||
 | 9-Apr-2025 | /clean surface_1334 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.65088610; eV | |||
 | 9-Apr-2025 | /clean surface_1335 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.40260356; eV | |||
 | 9-Apr-2025 | /clean surface_1336 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.54883900; eV | |||
 | 9-Apr-2025 | /clean surface_1337 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.54358314; eV | |||
 | 9-Apr-2025 | /clean surface_1338 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.12999038; eV | |||
 | 9-Apr-2025 | /clean surface_1339 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.13028480; eV | |||
 | 9-Apr-2025 | /clean surface_134 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.95954338; eV | |||
 | 9-Apr-2025 | /clean surface_1340 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.70297766; eV | |||
 | 9-Apr-2025 | /clean surface_1341 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.60246645; eV | |||
 | 9-Apr-2025 | /clean surface_1342 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.04140296; eV | |||
 | 9-Apr-2025 | /clean surface_1343 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.51386974; eV |
Collection's Items (Sorted by Submit Date in Descending order): 361 to 380 of 4380
