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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | ipconazole_RSS_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16896375; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF43_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16897810; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF46_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16959980; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16889000; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF52_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16808943; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF66_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16908168; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16902442; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF67_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16816978; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.17304892; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF85_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16990967; Eh |
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- 7855 Orca