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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2022 | ametoctradin_CONF1718_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54375955; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF791_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53506532; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF386_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42385959; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.57438780; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1047_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51124350; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF226_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54679077; Eh | |||
 | 23-Dec-2022 | piperalin_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08258853; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF348_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21679685; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF2130_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54327348; Eh | |||
 | 7-Oct-2022 | amisulbrom_CONF29_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4548.37989506; Eh |
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