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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_218_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25052936; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_220_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23361690; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_226_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25852243; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_223_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26395880; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_217_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25213745; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_213_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23192226; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_205_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26071969; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_204_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23195498; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_200_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25192528; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_198_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24838029; Eh |
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Subject
- 2113 Conformation analysis
- 2113 Mass spectrometry