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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | azaconazole_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.05874420; Eh | |||
 | 22-Dec-2021 | azaconazole_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.06080968; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RR_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.23062546; Eh | |||
 | 22-Dec-2021 | etaconazole_RR_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.70190917; Eh | |||
 | 22-Dec-2021 | etaconazole_RS_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71685483; Eh | |||
 | 21-Dec-2021 | penconazole_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15521978; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04347613; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF214_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03378754; Eh | |||
 | 21-Dec-2021 | metconazole_trans_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1360.84959613; Eh | |||
 | 21-Dec-2021 | penconazole_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.16626927; Eh |
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- 5179 Single point