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_CONF224_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78414103; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78364935; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF219_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78368000; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF201_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78324739; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF204_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78523743; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF187_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78423909; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF181_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78563818; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF177_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.78322328; Eh | |||
 | 13-Mar-2025 | bifenox_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21104032; Eh | |||
 | 13-Mar-2025 | bifenox_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21098928; Eh |
Results 2911-2920 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type