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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_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69548817; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF27_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69774524; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF36_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69848267; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF37_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69770753; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69712396; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF48_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69573313; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF52_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69615189; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF51_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69810547; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF53_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69856516; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF58_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.69788982; Eh |
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- 5179 Orca