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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_CONF64_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85680838; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF69_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85652246; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF72_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85613319; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85477537; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84631914; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84632882; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84629812; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84639146; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84612550; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84613154; Eh |
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