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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_Z_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84617843; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84424650; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86332655; Eh | |||
 | 10-Feb-2022 | imazalil_CONF36_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09645029; Eh | |||
 | 10-Feb-2022 | imazalil_CONF45_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09504184; Eh | |||
 | 10-Feb-2022 | imazalil_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09729969; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF269_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51970686; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF276_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52360995; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF277_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52365515; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF281_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52012237; Eh |
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