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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_CONF27_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85511187; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF28_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85536113; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85665743; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF49_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85637644; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF48_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85663651; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF62_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85623747; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF63_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85671323; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF68_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85662181; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF71_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85642748; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84612256; Eh |
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