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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_CONF382_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92889082; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF352_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92903031; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF344_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92746038; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF343_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92944054; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF334_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92759697; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92849859; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF204_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91946340; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF168_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92236788; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91978901; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF164_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91943526; Eh |
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