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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_CONF162_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01604948; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF170_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01577706; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF166_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01877774; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01901686; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF177_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01764017; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF178_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01705702; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF174_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01622731; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF180_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01562011; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF179_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01561162; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF187_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01731542; Eh |
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- 7855 Orca