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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | cyproconazole_RR_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1282.17386996; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78528157; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77441972; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77661198; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF111_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78333970; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78570041; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78554503; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF38_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77335529; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78513571; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78531837; Eh |
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