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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Sep-2022 | fluopyram_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.57447545; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50798081; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21533537; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94245073; Eh | |||
 | 22-Sep-2023 | Phorate_CONF648_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | - | def2-TZVPP | -1963.54523612; Eh | |||
 | 17-Jan-2023 | eptc_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67589031; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.57438780; 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_CONF224_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54527146; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF2130_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54327348; Eh |
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