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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Nov-2023 | ETN_neut_C020_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91493056; Eh | |||
 | 10-Nov-2023 | ETN_neut_C017_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90906435; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C009_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48746391; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C013_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48439779; Eh | |||
 | 10-Nov-2023 | DEGDN_NO3_C03_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1074.06261491; Eh | |||
 | 10-Nov-2023 | DEGDN_NO3_C06_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1074.06324709; Eh | |||
 | 10-Nov-2023 | DEGDN_neut_C06_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -793.50257884; Eh | |||
 | 10-Nov-2023 | ETN_neut_C000_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90909277; Eh | |||
 | 10-Nov-2023 | ETN_neut_C016_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91711037; Eh | |||
 | 10-Nov-2023 | ETN_neut_C002_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90990166; Eh |
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- 133 Anions
- 133 Ion Mobility Spectrometry