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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_CONF203_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92717013; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF202_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92731954; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF204_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92690971; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92651045; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF197_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92632462; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF199_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92577013; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF178_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92702713; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF168_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92950056; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92591662; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92696701; Eh |
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