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 | carfentrazone-ethyl_CONF263_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10637662; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF267_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10635721; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF353_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11748548; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF355_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11703041; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11735537; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11807860; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF256_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11732995; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF257_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11626069; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11748091; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF249_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11529268; Eh |
Results 1891-1900 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type