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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | azaconazole_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.07934882; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75988428; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75578418; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75591396; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF48_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75561899; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF49_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75563995; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75567489; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF51_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75565379; Eh | |||
| 22-Dec-2021 | bitertanol_RR_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75991486; Eh | |||
| 10-Feb-2022 | imazalil_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10384550; Eh |
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