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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_242_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23192913; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_239_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24508849; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_241_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24634416; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_238_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22899410; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_237_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23267782; Eh | ||||
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_240_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24876445; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_229_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24258856; 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_231_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25355285; Eh |
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