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. |
---|---|---|---|---|---|---|---|---|---|---|---|
19-Jun-2023 | /GGG GGG-H_cc_028_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -701.28526318; Eh | ||||
16-Jun-2023 | /GSH GSH-H_cc_175_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.21877698; Eh | ||||
16-Jun-2023 | /GSH GSH-H_cc_172_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22652266; Eh | ||||
16-Jun-2023 | /GSH GSH-H_cc_257_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22886231; Eh | ||||
16-Jun-2023 | /GSH GSH-H_ct_133_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23684593; Eh | ||||
16-Jun-2023 | /GSH GSH-H_ct_203_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24678054; Eh | ||||
16-Jun-2023 | /GSH GSH-H_cc_005_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.21116585; Eh | ||||
16-Jun-2023 | /GSH GSH-H_ct_247_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23680861; Eh | ||||
19-Jun-2023 | /GGG GGG-H_cc_011_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -701.28015209; Eh | ||||
19-Jun-2023 | /GGG GGG-H_ct_022_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -701.28562334; Eh |
Results 31-40 of 52 (Search time: 0.001 seconds).
Discover
Subject
- 52 Peptides