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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_CONF333_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92765419; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF311_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92804863; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92845114; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF199_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91852434; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF111_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92135477; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92798371; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92791935; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92704605; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF402_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92855513; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF403_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92856985; Eh |
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