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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Nov-2023 | ETN_NO3_C021_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1558.48016861; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C022_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1558.48669637; Eh | |||
 | 10-Nov-2023 | TMETN_NO3_C000_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1318.00075833; Eh | |||
 | 10-Nov-2023 | TMETN_NO3_C001_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1318.00140332; Eh | |||
 | 10-Nov-2023 | TMETN_neut_C005_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1037.43530372; Eh | |||
 | 10-Nov-2023 | TMETN_neut_C006_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1037.43018193; Eh | |||
 | 10-Nov-2023 | TMETN_neut_C004_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1037.43531341; Eh | |||
 | 10-Nov-2023 | TMETN_NO3_C002_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1317.99620619; Eh | |||
 | 10-Nov-2023 | TMETN_NO3_C003_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1317.99563706; Eh | |||
 | 10-Nov-2023 | TMETN_NO3_C004_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1317.99806862; Eh |
Results 11-20 of 133 (Search time: 0.001 seconds).
Discover
Subject
- 133 Anions
- 133 Ion Mobility Spectrometry