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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_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01822888; Eh | |||
 | 21-Dec-2021 | penconazole_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15451549; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF104_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01931450; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF101_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01920504; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF106_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01500759; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01788028; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF110_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01708761; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF112_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01708332; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF114_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01649769; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF116_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01825667; Eh |
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- 5179 Orca