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_CONF60_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04158641; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04125693; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04391172; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF96_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04380384; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF94_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04352601; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF92_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.04408552; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF108_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03287617; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03452630; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF132_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03315982; Eh | |||
![]() | 21-Dec-2021 | propiconazole_RR_CONF162_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03407293; Eh |
Results 5061-5070 of 5179 (Search time: 0.005 seconds).
Discover
Calculation type
- 5179 Single point