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 | butafenacil_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81556945; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF651_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81590861; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF644_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81629524; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF647_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81501274; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF658_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81568672; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81396233; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF553_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81459084; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF557_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81311091; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF563_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81449959; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81422765; Eh |
Results 2641-2650 of 3134 (Search time: 0.003 seconds).
Discover
Calculation type