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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_CONF20_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01481563; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01842814; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF211_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01677004; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF212_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01678659; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01680472; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF215_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01666056; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF214_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01675326; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF220_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01741501; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF221_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01743182; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01635708; Eh |
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- 5179 Orca