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. |
---|---|---|---|---|---|---|---|---|---|---|---|
16-Jun-2023 | /GSH GSH-H_tt_225_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23229254; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_220_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23361690; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_222_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26379652; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_224_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25314670; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_219_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25696248; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_216_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24107845; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_207_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24295303; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_203_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23000215; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_202_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26177843; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_213_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23192226; Eh |
Results 21-30 of 3928 (Search time: 0.002 seconds).
Discover
Subject
- 2069 Mass spectrometry
- 2058 Conformation analysis
- 2058 Peptides
- 279 collision cross section
- 279 high-field mobility
- 279 ion mobility
- 279 MobCal
- 279 trajectory method
- 279 two-temperature theory
- 220 cannabinoid
- next >
Calculation type
- 26 Single point