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. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Sep-2022 | tolfenpyrad_CONF422_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49767059; Eh | ||||
17-Jan-2023 | pretilachlor_CONF624_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1328.97178759; Eh | ||||
7-Oct-2022 | ametoctradin_CONF619_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53395575; Eh | ||||
25-Apr-2023 | flumiclorac-pentyl_CONF335_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18647699; Eh | ||||
9-Sep-2022 | thifensulfuron_CONF26_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1986.77579635; Eh | ||||
7-Oct-2022 | ametoctradin_CONF1467_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54291426; Eh | ||||
7-Oct-2022 | ametoctradin_CONF752_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54437259; Eh | ||||
27-Sep-2022 | fluoxastrobin_Z_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1965.04677500; Eh | ||||
10-Sep-2022 | ethoxisulfuron_CONF1277_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39336385; Eh | ||||
9-Sep-2022 | tolfenpyrad_CONF421_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49758774; Eh |
Results 8391-8400 of 84799 (Search time: 0.013 seconds).
Discover
Subject
- 2158 Mass spectrometry
- 2113 Conformation analysis
- 2113 Peptides
- 473 cannabinoid
- 473 silver
- 473 THC
- 394 Lewis acids
- 309 collision cross section
- 309 high-field mobility
- 309 ion mobility
- next >
Calculation type