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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_352_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25201649; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_350_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24839457; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_345_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24169957; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_346_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25706978; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_334_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24649543; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_347_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24485363; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_370_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25769112; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_371_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24605842; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_374_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24950547; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_373_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23906259; Eh |
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- 26 Single point