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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_CONF184_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52204963; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF185_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52094734; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF202_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51928535; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF216_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52218031; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF215_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52196259; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86151609; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86171559; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86132495; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86110168; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86155878; Eh |
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