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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Nov-2023 | NG_neut_C04_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -958.73563646; Eh | |||
 | 10-Nov-2023 | NG_neut_C01_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -958.73596161; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C014_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1558.48565621; Eh | |||
 | 10-Nov-2023 | RDX_NO3_C1_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1178.51863241; Eh | |||
 | 10-Nov-2023 | NO3_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -280.51841752; Eh | |||
 | 10-Nov-2023 | DEGDN_NO3_C05_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1074.06271007; Eh | |||
 | 10-Nov-2023 | DEGDN_neut_C05_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -793.50184112; Eh | |||
 | 10-Nov-2023 | DEGDN_neut_C07_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -793.50542098; 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 | ETN_neut_C018_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90988604; Eh |
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