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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_CONF133_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01863524; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF130_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01770142; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF132_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01794071; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF139_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01897130; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF140_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01822046; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01514495; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF143_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01925404; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF142_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01706752; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF144_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01722903; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF146_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01926366; Eh |
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- 5179 Orca