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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_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90360198; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90394198; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF120_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90333454; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31028625; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31026391; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF286_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90529075; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF263_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90173677; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF193_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90328840; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90376995; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF173_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90570830; Eh |
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