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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_CONF145_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51290219; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF150_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51296275; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50781399; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF152_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50995343; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF151_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50986723; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF153_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50993717; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF154_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50992322; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF156_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51004004; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF157_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50998273; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF158_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50991736; Eh |
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