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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_015_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.20019906; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_014_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.19982224; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_009_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23027930; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_031_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22799666; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_034_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21725819; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_035_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21869708; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_036_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24054734; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_038_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21558804; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_033_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.19659992; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_032_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23577743; Eh |
Results 1921-1930 of 2058 (Search time: 0.004 seconds).
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Subject
- 2058 Conformation analysis
- 2058 Mass spectrometry
Program name
- 2058 Orca