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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_CONF117_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01956749; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF118_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01804588; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF119_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01956689; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF120_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01747980; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01629473; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF121_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01678619; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF122_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01754339; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01610155; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF123_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01668260; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF138_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01637753; Eh |
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- 5179 Orca