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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_CONF278_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03532653; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF260_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03545435; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF277_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03417781; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF281_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03382828; Eh | |||
 | 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 |
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- 5179 Orca