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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_371_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24605842; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_372_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24507915; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_366_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23999755; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_367_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23540899; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_369_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24473469; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_343_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24771719; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_345_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24169957; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_346_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25706978; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_344_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25807944; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_347_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24485363; Eh |
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Subject
- 2058 Conformation analysis
- 2058 Mass spectrometry