Browsing by Subject Peptides
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jun-2023 | /AAA AAA-H_cc_021_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33113659; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_022_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33737011; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_023_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33978346; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_024_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33829955; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_025_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.31673959; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_026_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33501120; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_027_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.32828927; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_028_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.34627642; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_029_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33877995; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_030_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.34048284; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_031_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.31823430; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_032_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.32758209; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_033_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.34020146; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_034_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33726326; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_036_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33137415; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_037_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.32431890; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_038_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33455143; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_039_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.31140463; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_040_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.34343288; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_041_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33247724; Eh |