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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_RR_CONF147_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04540188; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF148_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04581592; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03278255; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03373814; Eh | |||
 | 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 |
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- 5179 Single point