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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_CONF324_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03411965; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF318_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03299482; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF317_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03288446; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03367884; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03357104; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03293263; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF162_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04370223; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF160_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04240883; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF161_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04247524; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04309499; Eh |
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- 7855 Orca