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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_206_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24778524; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_212_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23722532; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_173_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24395665; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_155_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22273168; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_130_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22386530; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_106_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24818853; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_057_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23750054; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_000_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.26767816; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tc_332_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23217697; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_263_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.25796815; Eh |
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