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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_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_C003_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1317.99563706; 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 | RDX_NO3_C0_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1178.52875222; 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 | HMX_NO3_C0_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1477.86472366; Eh | |||
 | 10-Nov-2023 | NG_NO3_C02_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1239.30571769; Eh | |||
 | 10-Nov-2023 | 13DNG_NO3_C03_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1034.74060049; Eh | |||
 | 10-Nov-2023 | DEGDN_NO3_C03_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization | - | def2-TZVPP | -1074.06261491; Eh |
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