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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_235_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24429216; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_233_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24475989; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_230_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23078706; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_231_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25355285; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_228_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24356841; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_224_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25314670; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_225_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23229254; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_221_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25013097; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_222_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26379652; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_219_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25696248; Eh |
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Subject
- 2113 Conformation analysis
- 2113 Mass spectrometry