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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-May-2023 | flupoxam_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2061.54166760; Eh | |||
 | 26-May-2023 | dichlobenil_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1243.72654792; Eh | |||
 | 26-May-2023 | dichlobenil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1243.73264061; Eh | |||
 | 26-May-2023 | dichlobenil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1243.72121852; Eh | |||
 | 26-May-2023 | chlorthiamid_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1643.16917919; Eh | |||
 | 26-May-2023 | chlorthiamid_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1643.17541714; Eh | |||
 | 26-May-2023 | chlorthiamid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1643.15412033; Eh |
Results 1691-1697 of 1697 (Search time: 0.002 seconds).
Discover
Program name
- 1697 Orca