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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_CONF126_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51204434; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF131_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51137821; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF13_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50918239; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF135_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51285771; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50919497; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF137_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51268268; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF140_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51249009; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF141_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51266144; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF142_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51263115; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF143_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51282773; Eh |
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