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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_RS_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03679020; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03417103; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF97_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01699802; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF127_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03171874; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF13_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03596066; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF163_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03439675; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF16_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03444626; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF201_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03452970; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF204_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03275248; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF205_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03656069; Eh |
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- 5179 Single point