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_CONF264_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.52254055; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF83_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84442376; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86117625; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86150264; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86166304; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF39_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86279577; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF44_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86240406; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF42_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86226753; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF43_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86332946; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF53_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86245532; Eh |
Results 3361-3370 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type