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_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92732306; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92744495; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92790494; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92755508; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92618985; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92805423; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF411_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92752797; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92686772; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92682325; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF323_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.92683264; Eh |
Results 391-400 of 3134 (Search time: 0.001 seconds).
Discover
Calculation type