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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_159_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24246695; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_158_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22869094; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_157_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26240739; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_156_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24482771; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_154_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24720850; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_153_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26153194; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_151_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25543678; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_150_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24495936; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_149_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22825197; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_148_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24979904; Eh |
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- 26 Single point