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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_CONF214_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52157278; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52055236; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF218_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52080139; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF22_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51966490; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF229_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52211351; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF23_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51998800; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF248_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51951533; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF262_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52285247; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF263_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52306014; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86265826; Eh |
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