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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | pyraflufen-ethyl_CONF94_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90200432; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90465610; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90507760; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90426269; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90217397; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90324813; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31176191; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31242519; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.90709472; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65816530; Eh |
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