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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_CONF96_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91865084; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF98_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91887132; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91976387; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92132653; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92109481; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91955943; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92124641; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92064984; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92035518; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF343_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92188472; Eh |
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