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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_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85656664; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF38_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85626311; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF51_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85640086; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85663165; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF55_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85658127; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF53_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85578384; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF59_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85639997; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85518635; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF65_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85616792; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF66_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85671579; Eh |
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