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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrisoxazole_RS_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88991633; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88245107; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88322180; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF390_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52039341; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF398_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52088924; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF40_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52028565; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51795520; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF411_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52156335; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF44_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51922744; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF43_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51725886; Eh |
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