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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | propiconazole_RR_CONF91_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03470449; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF92_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03509019; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF103_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01700737; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF278_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01670705; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF286_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01762664; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF285_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01757777; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF281_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01834826; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF55_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01738482; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF58_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01695398; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01832975; Eh |
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- 5179 Single point