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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_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84350530; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86115209; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF29_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86288164; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF28_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86230303; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF34_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86312824; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF35_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86338771; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF47_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86330992; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF49_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86311187; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF50_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86340877; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86281061; Eh |
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