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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_CONF385_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52150092; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF387_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52170995; Eh | |||
 | 10-Feb-2022 | imazalil_CONF44_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09532329; Eh | |||
 | 10-Feb-2022 | imazalil_CONF47_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09444363; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51891347; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF268_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51971780; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF286_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52232071; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF289_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51958735; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF290_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52355992; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF293_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51957271; Eh |
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