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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_CONF167_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51881993; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF164_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51936906; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF180_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52177391; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF189_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52095345; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF188_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52114217; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF187_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52186423; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF195_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51932704; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF199_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51965609; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52135861; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF204_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52082612; Eh |
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