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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_CONF314_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52298411; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF32_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51941198; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF322_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52211541; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF335_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51902190; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF339_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51930641; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF34_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52048874; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF343_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52116313; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF354_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52075621; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF358_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52097494; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF212_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52203360; Eh |
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