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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2023 | 4_F-_at_carbon_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1467.40896911; Eh | |||
 | 24-Jul-2023 | 4_F-_at_carbon_gas_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1467.33917073; Eh | |||
 | 24-Jul-2023 | 4_H-_at_carbon_gas_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1368.27119171; Eh | |||
 | 24-Jul-2023 | 4_F-_at_phos_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1467.40049944; Eh | |||
 | 24-Jul-2023 | 4_H-_at_carbon_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1368.33839018; Eh | |||
 | 24-Jul-2023 | 4_F-_at_phos_gas_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1467.32651962; Eh | |||
 | 24-Jul-2023 | 4_H-_at_phos_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1368.26944701; Eh | |||
 | 24-Jul-2023 | 4_H-_at_phos_gas_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1368.20425154; Eh | |||
 | 24-Jul-2023 | PBu3H+_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -813.98120439; Eh | |||
 | 24-Jul-2023 | 4_deprot_Bu_alpha_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1367.07473043; Eh |
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