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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Jun-2023 | /GSH GSH-H_tt_210_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24267592; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_201_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24827608; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_195_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23528142; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_194_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24602586; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_216_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24107845; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_207_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24295303; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_212_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23722532; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_209_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23384370; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_179_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25127095; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_173_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24395665; Eh |
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- 2113 Mass spectrometry
- 2113 Peptides