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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_tc_284_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24623374; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tc_221_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22921346; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tc_177_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23019429; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_260_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.26433799; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_263_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.25796815; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tc_171_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22583748; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tc_163_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24401774; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tc_170_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22833323; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tc_072_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23531840; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tc_067_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22587569; Eh |
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