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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RR_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75617870; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF66_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75536730; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF38_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78514412; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF39_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78510991; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF48_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78485702; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF56_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78577818; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF55_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78595697; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78490881; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77523535; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77638702; Eh |
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