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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): 1941 to 1960 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_962 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52692556; eV | |||
 | 9-Apr-2025 | /clean surface_963 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.70397819; eV | |||
 | 9-Apr-2025 | /clean surface_964 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.49153693; eV | |||
 | 9-Apr-2025 | /clean surface_965 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.18539325; eV | |||
 | 9-Apr-2025 | /clean surface_966 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.41912431; eV | |||
 | 9-Apr-2025 | /clean surface_967 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.65215981; eV | |||
 | 9-Apr-2025 | /clean surface_968 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.12701502; eV | |||
 | 9-Apr-2025 | /clean surface_969 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.12794313; eV | |||
 | 9-Apr-2025 | /clean surface_97 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.35505636; eV | |||
 | 9-Apr-2025 | /clean surface_970 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.29993781; eV | |||
 | 9-Apr-2025 | /clean surface_971 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.56071483; eV | |||
 | 9-Apr-2025 | /clean surface_972 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.45582024; eV | |||
 | 9-Apr-2025 | /clean surface_973 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.71099709; eV | |||
 | 9-Apr-2025 | /clean surface_974 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.55284750; eV | |||
 | 9-Apr-2025 | /clean surface_975 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.54698472; eV | |||
 | 9-Apr-2025 | /clean surface_976 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.65235234; eV | |||
 | 9-Apr-2025 | /clean surface_977 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.25368448; eV | |||
 | 9-Apr-2025 | /clean surface_978 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.59081154; eV | |||
 | 9-Apr-2025 | /clean surface_979 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.82132017; eV | |||
 | 9-Apr-2025 | /clean surface_98 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.18894240; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1941 to 1960 of 4380
