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_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.16626927; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF63_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03223895; Eh | |||
 | 21-Dec-2021 | metconazole_trans_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1360.84959613; Eh | |||
 | 21-Dec-2021 | myclobutanil_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.08572187; Eh | |||
 | 21-Dec-2021 | propiconazole_RS_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03365026; Eh | |||
 | 21-Dec-2021 | tebuconazole_CONF260_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.72898900; Eh | |||
 | 21-Dec-2021 | tetraconazole_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.44148844; Eh | |||
 | 21-Dec-2021 | tetraconazole_CONF210_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.44236618; Eh | |||
 | 21-Dec-2021 | tetraconazole_CONF87_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.44104099; Eh | |||
 | 21-Dec-2021 | triadimefon_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1318.11152655; Eh |
Results 11-20 of 5179 (Search time: 0.002 seconds).
Discover
Calculation type
- 5179 Single point