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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_CONF84_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51269490; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF79_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50897408; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF69_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51206258; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51200611; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF59_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51038675; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF57_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51039691; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF58_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51031355; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF47_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50931505; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50872282; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF50_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50956452; Eh |
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