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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_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 | |||
 | 21-Dec-2021 | propiconazole_RR_CONF189_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01535220; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF190_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01776401; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF181_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01643966; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF199_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01696849; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF194_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01716612; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF197_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01683165; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF20_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01481563; Eh |
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