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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF376_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49238435; Eh | |||
| 10-Feb-2022 | oxpoconazole_CONF380_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49240494; Eh | |||
| 21-Dec-2021 | tebuconazole_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71032099; Eh | |||
| 10-Feb-2022 | oxpoconazole_CONF38_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49215498; Eh | |||
| 10-Feb-2022 | oxpoconazole_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49168467; Eh | |||
| 21-Dec-2021 | tebuconazole_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71083843; Eh | |||
| 10-Feb-2022 | oxpoconazole_CONF379_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49232865; Eh | |||
| 21-Dec-2021 | tebuconazole_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71043278; Eh | |||
| 10-Feb-2022 | oxpoconazole_CONF36_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49193996; Eh | |||
| 21-Dec-2021 | tebuconazole_CONF139_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.71099308; Eh |
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