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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_CONF309_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03331469; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF31_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03537242; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF42_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03371658; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF45_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03228469; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF48_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03268312; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF47_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03227972; Eh | |||
 | 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 |
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- 7855 Orca