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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF382_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52170771; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF381_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52183320; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF383_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52194338; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF386_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52151485; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF389_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52165233; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF39_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51720977; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF230_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96885330; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF229_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96871674; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF235_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96621065; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF236_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96703689; Eh |
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