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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | fluoxastrobin_Z_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1965.04507836; Eh | |||
 | 9-Sep-2022 | sulfosulfuron_CONF250_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2272.21549122; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF157_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52080748; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF374_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49712041; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF303_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18356357; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF645_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54579658; Eh | |||
 | 18-Jan-2023 | dimethenamid_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1531.80621879; Eh | |||
 | 18-Jan-2023 | piperophos_CONF1560_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1968.77399306; Eh | |||
 | 8-May-2023 | pyridate_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33246393; Eh | |||
 | 27-Sep-2022 | fluoxastrobin_Z_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1965.04690805; Eh |
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- 168 Silver
- 168 Tautomerism
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