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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86122358; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF71_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86317224; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF116_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52121406; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF26_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85522588; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF30_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85639678; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85447472; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF40_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85638179; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF41_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85638096; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF50_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85669580; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85633608; Eh |
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