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_000_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33024212; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_001_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33088949; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_002_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.35569616; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_003_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33988600; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_004_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33614382; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_005_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33067742; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_006_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.32666311; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_007_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.31753154; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_008_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.30694297; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_009_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.32827565; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_010_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.34799915; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_011_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33007795; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_012_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33187782; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_014_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33906395; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_015_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33393198; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_016_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33391484; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_017_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.32835080; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_018_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.32516107; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_019_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.32546563; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_cc_020_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -819.33499800; Eh |