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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_CONF23_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16023977; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15925276; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF33_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15974230; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF43_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15812901; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15750668; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15922354; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF66_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15833784; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15932133; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.16244938; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF85_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.15901269; Eh |
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- 7855 Orca