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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): 381 to 400 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1344 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.23439642; eV | |||
 | 9-Apr-2025 | /clean surface_1345 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.43240454; eV | |||
 | 9-Apr-2025 | /clean surface_1346 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.74914609; eV | |||
 | 9-Apr-2025 | /clean surface_1347 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.73188351; eV | |||
 | 9-Apr-2025 | /clean surface_1348 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.09473611; eV | |||
 | 9-Apr-2025 | /clean surface_1349 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.48895850; eV | |||
 | 9-Apr-2025 | /clean surface_135 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.39916392; eV | |||
 | 9-Apr-2025 | /clean surface_1350 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.14706618; eV | |||
 | 9-Apr-2025 | /clean surface_1351 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.00647534; eV | |||
 | 9-Apr-2025 | /clean surface_1352 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.13286479; eV | |||
 | 9-Apr-2025 | /clean surface_1353 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.05872444; eV | |||
 | 9-Apr-2025 | /clean surface_1354 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89957212; eV | |||
 | 9-Apr-2025 | /clean surface_1355 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.92035989; eV | |||
 | 9-Apr-2025 | /clean surface_1356 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.99182971; eV | |||
 | 9-Apr-2025 | /clean surface_1357 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.52343664; eV | |||
 | 9-Apr-2025 | /clean surface_1358 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.14130286; eV | |||
 | 9-Apr-2025 | /clean surface_1359 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.04298044; eV | |||
 | 9-Apr-2025 | /clean surface_136 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.84909877; eV | |||
 | 9-Apr-2025 | /clean surface_1360 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.49302365; eV | |||
 | 9-Apr-2025 | /clean surface_1361 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.35634354; eV |
Collection's Items (Sorted by Submit Date in Descending order): 381 to 400 of 4380
