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_CONF838_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81510868; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF844_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81559150; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF833_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81549259; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81590993; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81602960; Eh | |||
 | 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 |
Results 2081-2090 of 3134 (Search time: 0.001 seconds).
Discover
Calculation type