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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF181_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52180960; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF190_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52180582; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF191_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52055032; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51955246; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF197_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52229255; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF198_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52119080; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF196_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51937592; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF201_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52013891; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF200_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51993679; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52006621; Eh |
Results 3341-3350 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type