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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_170_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22384968; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_190_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23661383; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_183_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25171998; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_181_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24026318; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_177_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23970960; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_174_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25683500; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_193_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24382504; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_192_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23312589; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_188_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24543433; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_187_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23054416; Eh |
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Subject
- 2113 Conformation analysis
- 2113 Mass spectrometry
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