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 | propiconazole_RR_CONF28_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03234684; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03395277; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF60_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03253318; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03265212; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF55_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03479652; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03422079; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03429790; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF96_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03455767; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF97_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03339184; Eh | |||
 | 21-Dec-2021 | propiconazole_RR_CONF94_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03416492; Eh |
Results 5081-5090 of 5179 (Search time: 0.005 seconds).
Discover
Calculation type
- 5179 Single point