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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_214_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21327768; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_211_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25100388; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_208_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24681694; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_202_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26177843; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_197_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22078519; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_203_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23000215; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_199_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25097626; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_196_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25676160; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_215_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24771997; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_210_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24267592; Eh |
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- 2058 Mass spectrometry