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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_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91952164; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91967659; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF313_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92003673; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF316_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92015224; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF305_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92086694; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF291_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92014417; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF290_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92028941; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91987611; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF284_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92020968; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91966452; Eh |
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