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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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_NO3_C004_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1317.99806862; Eh | |||
 | 10-Nov-2023 | Tetryl_NO3_C1_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1426.11244109; Eh | |||
 | 10-Nov-2023 | 1NG_NO3_C02_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -830.16754493; Eh | |||
 | 10-Nov-2023 | Tetryl_neut_C0_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1145.54494983; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C020_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48461591; Eh | |||
 | 10-Nov-2023 | NG_neut_C09_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -958.73979429; Eh | |||
 | 10-Nov-2023 | RDX_NO3_C0_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1178.52875222; Eh | |||
 | 10-Nov-2023 | 13DNG_NO3_C04_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1034.74135413; Eh | |||
 | 10-Nov-2023 | DEGDN_NO3_C04_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1074.06130169; Eh |
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