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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_CONF209_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52092240; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF224_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52217104; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF227_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51984848; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF225_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52093777; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF234_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51957432; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52006569; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF25_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52053566; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF255_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52293088; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF252_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52357489; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF253_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52246099; Eh |
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