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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_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86172726; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF27_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86193053; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86143875; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF37_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86329305; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF38_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86299849; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86123783; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF45_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86339090; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF51_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86325364; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF52_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86317310; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF62_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86298184; Eh |
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