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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | myclobutanil_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.11229140; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF101_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10431574; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF102_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10409262; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10219757; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF16_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10183451; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10567940; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10235240; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.14154688; Eh | |||
 | 21-Dec-2021 | ipconazole_RSS_CONF97_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1400.14172692; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF19_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10383479; Eh |
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- 7855 Orca