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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF80_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09754690; Eh | |||
 | 10-Feb-2022 | imazalil_CONF82_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09792059; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF101_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49186625; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF108_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49147509; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF109_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49431521; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF130_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.48967181; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF145_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49423742; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF154_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49172920; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF156_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49197396; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF159_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49196824; Eh |
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