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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF271_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51951296; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF106_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51897451; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84621171; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84610312; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84608922; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF109_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52338873; Eh | |||
 | 10-Feb-2022 | imazalil_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09699202; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88385983; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88347342; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF195_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49098119; Eh |
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