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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_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10335497; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF36_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10341158; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF40_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10356563; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10421165; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF51_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10330150; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10419442; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF59_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10477445; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10260441; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10387529; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF77_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.10393084; Eh |
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- 7855 Orca