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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_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91946333; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF128_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92183481; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF109_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91840837; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF108_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92080416; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92726823; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92587227; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92636826; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92717723; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92784800; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92656746; Eh |
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