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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_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92781274; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92715707; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92879818; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92891679; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92753377; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF286_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92829684; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92725135; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF239_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92752069; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92656983; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92708484; Eh |
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