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_337_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24906658; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_334_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24649543; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_335_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25073082; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_336_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25407623; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_338_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25419722; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_341_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25035527; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_342_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25242286; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_340_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24898180; Eh |
Results 2051-2058 of 2058 (Search time: 0.003 seconds).
Discover
Subject
- 2058 Conformation analysis
- 2058 Mass spectrometry
Program name
- 2058 Orca