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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Dec-2022 | piperalin_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07654184; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF97_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55194273; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94287946; Eh | |||
 | 23-Dec-2022 | piperalin_CONF269_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08814906; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF103_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.57260567; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF297_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54521806; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94272331; Eh | |||
 | 23-Dec-2022 | piperalin_CONF275_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08797212; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF343_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21530351; Eh | |||
 | 15-Dec-2022 | piperalin_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07618392; Eh |
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- 71027 Single point