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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_CONF392_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92839422; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92719873; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF322_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92745950; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF304_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92721984; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91965467; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91763470; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91958836; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF187_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91982192; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92531800; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92770450; Eh |
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