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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_CONF270_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51937713; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF107_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51900696; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF51_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84421016; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86280894; Eh | |||
 | 10-Feb-2022 | imazalil_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09577705; Eh | |||
 | 10-Feb-2022 | imazalil_CONF40_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09582773; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88356800; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88377684; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88281793; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88244747; Eh |
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