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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | propiconazole_RR_CONF35_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04169621; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF33_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04226417; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF31_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04210879; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF40_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04076606; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04294460; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF42_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04369105; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF60_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04158641; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04125693; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04391172; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF96_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04380384; Eh |
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- 7855 Orca