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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_CONF126_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92142812; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF115_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92136567; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92145179; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91998119; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF104_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92130710; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91705554; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92795357; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92744051; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92713433; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92800233; Eh |
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