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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_CONF115_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90381702; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90274687; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF306_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90497548; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF241_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90325644; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF204_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90359620; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF117_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90378200; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF118_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90334067; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.31059258; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF205_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90451479; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF201_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90320519; Eh |
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