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_180_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24115835; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_178_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25710239; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_171_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23420995; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_191_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25485419; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_184_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25262619; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_175_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23053492; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_189_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24867687; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_185_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24998148; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_176_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25126352; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_172_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23294118; Eh |
Results 61-70 of 3920 (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