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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_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.17211449; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.17012294; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF98_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.14174563; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.17042706; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.17068552; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16734660; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF23_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.17089387; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.17034563; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF33_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16975362; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.17102757; Eh |
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- 7855 Orca