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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_CONF55_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52062123; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF58_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52063793; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF56_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52072889; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF57_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52047035; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF62_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84634998; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF61_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84626591; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF64_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84621298; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF65_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84630170; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF70_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84510628; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84333139; Eh |
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