Browsing by Subject Anions
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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_C006_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90931610; Eh | |||
 | 10-Nov-2023 | ETN_neut_C007_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91147498; Eh | |||
 | 10-Nov-2023 | ETN_neut_C008_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90785529; Eh | |||
 | 10-Nov-2023 | ETN_neut_C009_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90996679; Eh | |||
 | 10-Nov-2023 | ETN_neut_C010_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90863415; Eh | |||
 | 10-Nov-2023 | ETN_neut_C011_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91147912; Eh | |||
 | 10-Nov-2023 | ETN_neut_C012_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91148263; Eh | |||
 | 10-Nov-2023 | ETN_neut_C013_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91447039; Eh | |||
 | 10-Nov-2023 | ETN_neut_C014_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91032264; Eh | |||
 | 10-Nov-2023 | ETN_neut_C015_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91212446; 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_C017_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90906435; Eh | |||
 | 10-Nov-2023 | ETN_neut_C018_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90988604; Eh | |||
 | 10-Nov-2023 | ETN_neut_C019_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91720957; Eh | |||
 | 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_C021_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91086250; Eh | |||
 | 10-Nov-2023 | ETN_neut_C022_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91002245; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C000_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48610816; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C001_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48553404; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C002_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48587412; Eh |