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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_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91992413; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF112_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92131768; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92076186; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92695616; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92573247; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92877673; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92784047; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92791345; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92788466; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92810892; Eh |
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