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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_CONF285_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52275011; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF287_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52247664; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF288_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52017801; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF29_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52031518; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF292_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52204807; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF294_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51964508; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF299_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51946953; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF30_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51935856; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF305_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51928570; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF307_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52226540; Eh |
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