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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_CONF92_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49347034; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49204529; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF93_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49049740; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF304_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95619512; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF305_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95636283; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF181_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96690833; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF183_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96738568; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF187_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96732412; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF185_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96736274; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF196_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96904538; Eh |
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