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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pefurazoate_CONF890_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02512706; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF99_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02356824; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01402962; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1009_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01663888; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1011_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01261352; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1244_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01774842; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF132_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01516276; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF142_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01399190; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01497459; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1610_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01668311; Eh |
Results 4191-4200 of 4613 (Search time: 0.003 seconds).
Discover
Calculation type