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 | cinidon-ethyl_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.45985494; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF102_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10469730; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11799304; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11544805; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF110_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10806658; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF106_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10622956; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF111_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.10748543; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11460558; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11406092; Eh | ||||
| 13-Mar-2025 | carfentrazone-ethyl_CONF295_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11492927; Eh |
Results 1931-1940 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type