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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_CONF277_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49352045; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF288_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49237432; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF294_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49095032; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF296_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49183591; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF320_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49252608; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF33_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49033443; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF377_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49241432; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF378_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49235117; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF37_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49237658; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF169_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52125124; Eh |
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