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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_cc_103_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22938642; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_101_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23939617; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_105_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.19952784; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_102_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.20934496; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_104_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24075044; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_098_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24316556; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_100_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21851474; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_099_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23767707; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_ct_275_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23801749; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_ct_269_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22957218; Eh |
Results 1941-1950 of 2058 (Search time: 0.003 seconds).
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Subject
- 2058 Conformation analysis
- 2058 Mass spectrometry
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- 2058 Orca