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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_CONF275_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52380460; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF278_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52359492; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF279_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52363550; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF112_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52350630; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF282_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52016728; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF297_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51957349; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52118756; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF302_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51918978; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF309_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51927976; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF313_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52266036; Eh |
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