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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_CONF145_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01656360; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF148_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01887798; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF147_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01797739; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01557316; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF150_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01661068; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF152_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01926339; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF151_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01705325; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF154_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01845346; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF155_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01619250; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF159_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01850899; Eh |
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- 5179 Orca