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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): 441 to 460 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1400 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.78519560; eV | |||
 | 9-Apr-2025 | /clean surface_1402 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.25551812; eV | |||
 | 9-Apr-2025 | /clean surface_1403 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.26633055; eV | |||
 | 9-Apr-2025 | /clean surface_1404 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79168955; eV | |||
 | 9-Apr-2025 | /clean surface_1405 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.53602007; eV | |||
 | 9-Apr-2025 | /clean surface_1406 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.74732466; eV | |||
 | 9-Apr-2025 | /clean surface_1407 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.96674352; eV | |||
 | 9-Apr-2025 | /clean surface_1408 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.38671302; eV | |||
 | 9-Apr-2025 | /clean surface_1409 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.53860291; eV | |||
 | 9-Apr-2025 | /clean surface_141 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.18489307; eV | |||
 | 9-Apr-2025 | /clean surface_1410 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.45868301; eV | |||
 | 9-Apr-2025 | /clean surface_1411 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.75197878; eV | |||
 | 9-Apr-2025 | /clean surface_1412 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.62831574; eV | |||
 | 9-Apr-2025 | /clean surface_1413 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.78074223; eV | |||
 | 9-Apr-2025 | /clean surface_1414 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.72019875; eV | |||
 | 9-Apr-2025 | /clean surface_1415 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.51289680; eV | |||
 | 9-Apr-2025 | /clean surface_1416 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.30545093; eV | |||
 | 9-Apr-2025 | /clean surface_1417 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.75213176; eV | |||
 | 9-Apr-2025 | /clean surface_1418 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.64196464; eV | |||
 | 9-Apr-2025 | /clean surface_1419 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.76306774; eV |
Collection's Items (Sorted by Submit Date in Descending order): 441 to 460 of 4380
