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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_CONF94_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04352601; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF92_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04408552; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF108_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03287617; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03452630; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF132_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03315982; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF162_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03407293; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF160_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03365034; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF174_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03213492; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF170_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03287393; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF179_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03337973; Eh |
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- 7855 Orca