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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_CONF396_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52178824; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF399_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52130643; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52004588; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF42_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52048772; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF442_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52199053; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF46_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52022541; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF47_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52018693; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF48_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52011468; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF52_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52043837; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF50_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52032717; Eh |
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