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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): 1961 to 1980 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_980 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.87176268; eV | |||
 | 9-Apr-2025 | /clean surface_981 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.76699279; eV | |||
 | 9-Apr-2025 | /clean surface_982 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.63782581; eV | |||
 | 9-Apr-2025 | /clean surface_983 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.44617403; eV | |||
 | 9-Apr-2025 | /clean surface_984 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.41960604; eV | |||
 | 9-Apr-2025 | /clean surface_985 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.75262989; eV | |||
 | 9-Apr-2025 | /clean surface_986 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.36964612; eV | |||
 | 9-Apr-2025 | /clean surface_987 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.42968392; eV | |||
 | 9-Apr-2025 | /clean surface_988 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.63232949; eV | |||
 | 9-Apr-2025 | /clean surface_989 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66749858; eV | |||
 | 9-Apr-2025 | /clean surface_99 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.25683584; eV | |||
 | 9-Apr-2025 | /clean surface_990 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.36788165; eV | |||
 | 9-Apr-2025 | /clean surface_991 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.41629934; eV | |||
 | 9-Apr-2025 | /clean surface_992 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.53817806; eV | |||
 | 9-Apr-2025 | /clean surface_993 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.24305246; eV | |||
 | 9-Apr-2025 | /clean surface_994 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.90118418; eV | |||
 | 9-Apr-2025 | /clean surface_995 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.13469381; eV | |||
 | 9-Apr-2025 | /clean surface_996 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.45211025; eV | |||
 | 9-Apr-2025 | /clean surface_997 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.32769488; eV | |||
 | 9-Apr-2025 | /clean surface_998 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.13456874; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1961 to 1980 of 4380
