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_233_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24475989; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_232_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24554455; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_227_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25317137; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_226_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25852243; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_230_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23078706; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_290_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24226956; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_291_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25017526; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_218_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25052936; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_223_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26395880; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_221_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25013097; Eh |
Results 11-20 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