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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_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10988647; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF73_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10928885; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF74_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10939741; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF78_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.11338486; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF77_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.11170285; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.11143574; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF83_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.11156244; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF80_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.11156224; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10378263; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10552587; Eh |
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- 7855 Orca