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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_CONF159_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50956537; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF160_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51004013; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF287_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51169276; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF286_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51179671; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF29_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51019518; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF290_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51245696; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF292_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51126894; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF216_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96848413; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF219_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96650517; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF22_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1579.96801264; Eh |
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