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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_CONF376_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49238435; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF36_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49193996; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF81_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96667119; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF127_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96537945; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168650; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168467; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF143_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96588401; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF124_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96867614; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF192_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.97634671; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49226498; Eh |
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- 2446 Single point