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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_tc_002_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23700931; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_000_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23412098; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_003_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24378010; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_005_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24301748; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_004_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24631813; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_006_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23729474; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_011_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24509706; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_012_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23552519; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_010_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21215856; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tc_008_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23482014; Eh |
Results 1961-1970 of 2058 (Search time: 0.003 seconds).
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Subject
- 2058 Conformation analysis
- 2058 Mass spectrometry
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- 2058 Orca