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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | difenoconazole_RS_CONF102_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69723523; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF104_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69868210; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF109_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69662245; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF114_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69706306; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF115_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69889105; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF113_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69746136; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF164_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69532859; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF170_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69545007; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69653371; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69638574; Eh |
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- 5179 Single point