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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_169_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24008728; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_167_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24434399; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_166_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23312407; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_165_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23411177; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_162_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21777564; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_160_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25215104; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_171_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23420995; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_168_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21606517; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_164_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24316002; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_163_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22217639; Eh |
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- 26 Single point