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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_CONF118_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92619377; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92857671; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92823196; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF96_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90429626; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF119_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92659299; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF117_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92660464; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92855871; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92850750; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF98_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90355777; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32414470; Eh |
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