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 | pentoxazone_CONF44_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.88290240; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.88365942; Eh | |||
 | 13-Mar-2025 | pentoxazone_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1573.88620003; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65774375; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.66717041; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.65158680; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.64888262; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.64897352; Eh | |||
 | 13-Mar-2025 | oxyfluorfen_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1693.64906979; Eh | |||
 | 13-Mar-2025 | pyraclonil_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1369.30993302; Eh |
Results 621-630 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type