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_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81488764; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81577897; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81506639; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF119_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81584159; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF118_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81564322; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF117_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81589519; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF101_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81345111; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81445095; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF91_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78343933; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78420270; Eh |
Results 2801-2810 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type