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. |
---|---|---|---|---|---|---|---|---|---|---|---|
25-Apr-2023 | flumiclorac-pentyl_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20462773; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20385177; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF123_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20462297; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20502492; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20389576; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF126_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20619189; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20460438; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF949_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21795881; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF942_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21781840; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21478716; Eh |
Results 5301-5310 of 5330 (Search time: 0.005 seconds).
Discover
Calculation type
- 5330 Single point