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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_CONF101_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51830763; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96525813; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF311_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95608414; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF31_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.95358549; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF182_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96663302; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF189_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96726002; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF188_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96726404; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF192_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96597612; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF194_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96916721; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF202_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96699500; Eh |
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