Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Jun-2023 | /GSH GSH-H_tt_214_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.21327768; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_211_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25100388; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_208_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24681694; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_206_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24778524; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_202_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.26177843; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_197_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.22078519; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_203_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23000215; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_199_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25097626; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_196_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25676160; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_215_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24771997; Eh |
Results 31-40 of 2113 (Search time: 0.001 seconds).
Discover
Subject
- 2113 Conformation analysis
- 2113 Mass spectrometry