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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_CONF88_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52131361; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF81_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51877579; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51885935; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF92_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52277293; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF103_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51219588; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51188644; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF104_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51224872; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF109_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51265168; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF112_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51280212; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50891745; Eh |
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