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_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20441957; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20544553; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF373_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20556917; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF375_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20506033; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20464197; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF381_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20542394; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF293_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20625043; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF292_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20615189; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20506665; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF216_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.20464155; Eh |
Results 5291-5300 of 5330 (Search time: 0.005 seconds).
Discover
Calculation type
- 5330 Single point