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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | propiconazole_RS_CONF103_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04200333; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF104_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04479126; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF105_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04181367; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF124_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04312918; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04485516; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF121_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04256518; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF127_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04077815; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04458716; Eh | |||
 | 21-Dec-2021 | triadimenol_RR_CONF19_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.31921909; Eh | |||
 | 21-Dec-2021 | triadimenol_RS_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1319.30311135; Eh |
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- 7855 Orca