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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): 1681 to 1700 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_728 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.55919218; eV | |||
 | 9-Apr-2025 | /clean surface_729 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.12193074; eV | |||
 | 9-Apr-2025 | /clean surface_73 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.83293188; eV | |||
 | 9-Apr-2025 | /clean surface_730 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.85387442; eV | |||
 | 9-Apr-2025 | /clean surface_731 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.08792626; eV | |||
 | 9-Apr-2025 | /clean surface_732 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.92097977; eV | |||
 | 9-Apr-2025 | /clean surface_733 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.33246960; eV | |||
 | 9-Apr-2025 | /clean surface_734 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.76195668; eV | |||
 | 9-Apr-2025 | /clean surface_735 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.61645268; eV | |||
 | 9-Apr-2025 | /clean surface_736 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.04933805; eV | |||
 | 9-Apr-2025 | /clean surface_737 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.35030467; eV | |||
 | 9-Apr-2025 | /clean surface_738 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.77023372; eV | |||
 | 9-Apr-2025 | /clean surface_739 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.81315190; eV | |||
 | 9-Apr-2025 | /clean surface_74 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55173011; eV | |||
 | 9-Apr-2025 | /clean surface_740 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.30082076; eV | |||
 | 9-Apr-2025 | /clean surface_741 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.08748438; eV | |||
 | 9-Apr-2025 | /clean surface_742 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.32593711; eV | |||
 | 9-Apr-2025 | /clean surface_743 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.45839147; eV | |||
 | 9-Apr-2025 | /clean surface_744 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.36794475; eV | |||
 | 9-Apr-2025 | /clean surface_745 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.20236314; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1681 to 1700 of 4380
