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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_DHP-pos4_ylidene_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -553.49478677; Eh | |||
 | 3-May-2023 | A3-TS_optts_hess | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1514.09069020; Eh | |||
 | 24-Jul-2023 | 4_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1367.59503661; Eh | |||
 | 24-Jul-2023 | butene_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -156.87939404; Eh | |||
 | 24-Jul-2023 | Me3Si+_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -408.44515890; 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 | PBu3_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -813.52384787; 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_deprot_DHP-pos4_mecn_opt | Mulks, Florian | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | - | -1367.11068763; Eh |
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