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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | penconazole_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.16628162; Eh | |||
 | 21-Dec-2021 | penconazole_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.16583320; Eh | |||
 | 21-Dec-2021 | penconazole_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.16290145; Eh | |||
 | 21-Dec-2021 | penconazole_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15546071; Eh | |||
 | 21-Dec-2021 | penconazole_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.16443475; Eh | |||
 | 21-Dec-2021 | penconazole_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15609880; Eh | |||
 | 21-Dec-2021 | penconazole_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15688313; Eh | |||
 | 21-Dec-2021 | penconazole_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15709877; Eh | |||
 | 21-Dec-2021 | penconazole_CONF13_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15609767; Eh | |||
 | 21-Dec-2021 | penconazole_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.15525503; Eh |
Results 5071-5080 of 5179 (Search time: 0.004 seconds).
Discover
Program name
- 5179 Orca