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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_CONF107_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49154656; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF116_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49225022; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF126_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49314325; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF124_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.48966580; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF137_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49393426; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49034712; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF141_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49410221; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF157_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49235863; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF160_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49208044; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF16_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49170774; Eh |
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