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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_CONF275_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49360908; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF281_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49236770; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF282_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49239437; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF285_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49192962; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF290_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49297708; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF293_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49092720; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF29_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49169534; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF31_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49148421; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF32_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49178099; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF165_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51949916; Eh |
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