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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_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16873365; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16867566; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF98_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16962945; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF97_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16955975; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16064404; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF13_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16009181; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16024393; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16015679; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15983345; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF24_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16029420; Eh |
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- 7855 Orca