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_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52065150; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF63_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52031650; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF64_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52046910; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52049752; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF66_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52043326; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF67_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52041928; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF68_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52044314; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF69_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52211898; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51903801; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF70_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52194219; Eh |
Results 3181-3190 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type