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_CONF734_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81500425; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF721_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81584563; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF722_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81452197; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF726_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81454975; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF731_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81440710; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF675_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81538416; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF662_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80563581; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF648_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80635201; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF663_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80525942; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF638_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80642299; Eh |
Results 2471-2480 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type