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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_CONF296_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52248581; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF298_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51914893; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF301_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51934233; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF316_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52291504; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF318_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52389537; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF319_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52284950; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF323_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52234521; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF333_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51914773; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF35_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52047028; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF352_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52082828; Eh |
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