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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_CONF307_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91991807; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF301_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92082425; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91968179; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF279_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92006881; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF241_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92056857; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF226_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91929547; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92013253; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92079896; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF99_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91935028; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.19913199; Eh |
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