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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_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75991486; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78470377; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78487150; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF37_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78473682; 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_CONF35_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78425215; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF57_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78580696; 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_RR_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78468381; Eh | |||
| 22-Dec-2021 | bitertanol_RS_CONF82_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77555995; Eh |
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