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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_CONF108_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03220361; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF135_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03372273; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF136_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03586090; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF134_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03465717; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF132_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03334423; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF210_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03434688; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF208_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03461588; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF209_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03456317; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03504092; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF322_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03202962; Eh |
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- 7855 Orca