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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_CONF71_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52198901; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF72_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52199446; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF73_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52200868; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF74_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52201921; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF75_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52195508; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF76_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52168465; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF77_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52157899; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF78_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52176455; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF79_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51870596; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51917921; Eh |
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