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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_164_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24316002; 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_149_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22825197; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_146_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24321675; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_145_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25447391; 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 |
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- 26 Single point