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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_RS_CONF76_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78595179; Eh | |||
| 21-Dec-2021 | imibenconazole_trans_CONF118_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2653.54258617; Eh | |||
| 21-Dec-2021 | imibenconazole_trans_CONF86_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2653.51263091; Eh | |||
| 21-Dec-2021 | imibenconazole_trans_CONF77_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2653.51172827; Eh | |||
| 21-Dec-2021 | imibenconazole_trans_CONF78_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2653.51113216; Eh | |||
| 22-Dec-2021 | bitertanol_RS_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78408397; Eh | |||
| 22-Dec-2021 | bitertanol_RS_CONF92_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75606033; Eh | |||
| 22-Dec-2021 | bitertanol_RS_CONF93_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75591724; Eh | |||
| 22-Dec-2021 | bitertanol_RS_CONF94_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75583831; Eh |
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