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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | tebuconazole_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71043278; Eh | |||
| 21-Dec-2021 | tebuconazole_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71032099; Eh | |||
| 21-Dec-2021 | tebuconazole_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71083843; Eh | |||
| 21-Dec-2021 | tebuconazole_CONF139_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71099308; Eh | |||
| 21-Dec-2021 | tebuconazole_CONF129_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71226365; Eh | |||
| 22-Dec-2021 | azaconazole_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.05875751; Eh | |||
| 22-Dec-2021 | azaconazole_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.06141957; Eh | |||
| 22-Dec-2021 | azaconazole_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.05873295; Eh | |||
| 22-Dec-2021 | azaconazole_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.06081948; Eh | |||
| 22-Dec-2021 | azaconazole_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.06166407; Eh |
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