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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | penconazole_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15808999; Eh | |||
 | 21-Dec-2021 | penconazole_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15596196; Eh | |||
 | 21-Dec-2021 | penconazole_CONF43_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15695435; Eh | |||
 | 21-Dec-2021 | penconazole_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15832749; Eh | |||
 | 21-Dec-2021 | penconazole_CONF50_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15652056; Eh | |||
 | 21-Dec-2021 | penconazole_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15653498; Eh | |||
 | 21-Dec-2021 | penconazole_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15589500; Eh | |||
 | 21-Dec-2021 | penconazole_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15759120; Eh | |||
 | 21-Dec-2021 | penconazole_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15363812; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01607855; Eh |
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- 5179 Orca