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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Sep-2022 | tolfenpyrad_CONF323_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.52204619; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.52596924; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF119_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53218270; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF683_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53648859; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF656_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51245240; Eh | |||
 | 17-Jan-2023 | eptc_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67478134; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94316379; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF332_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21689026; Eh | |||
 | 15-Dec-2022 | piperalin_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07604229; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57936685; Eh |
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