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_CONF20_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01481563; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01842814; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF211_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01677004; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF212_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01678659; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01680472; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF215_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01666056; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF214_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01675326; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF220_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01741501; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF221_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01743182; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.01635708; Eh |
Results 5161-5170 of 5179 (Search time: 0.004 seconds).
Discover
Calculation type
- 5179 Single point