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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_CONF181_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03375461; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03309610; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF184_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03303729; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF200_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03291170; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF30_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03346554; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF27_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03242811; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF28_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03234684; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03395277; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF60_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03253318; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03265212; Eh |
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- 7855 Orca