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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_CONF222_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52185231; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF221_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52078212; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF232_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52091548; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF230_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52092342; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF245_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51908475; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF244_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51913878; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF257_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52291879; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52030843; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF256_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52376168; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86108567; Eh |
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