Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | pyraflufen-ethyl_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92868507; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92860623; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92726454; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92780872; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92689530; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92679280; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92740332; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92051885; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF197_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91896049; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.91998469; Eh |
Results 371-380 of 3134 (Search time: 0.001 seconds).
Discover
Calculation type