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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_CONF35_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84663382; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF41_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84634955; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84516824; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF46_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84645925; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF48_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84648091; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF49_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84658230; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84485733; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF52_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84657760; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF54_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84651951; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86337484; Eh |
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