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Community Hits:
| Community Name |
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| Gemma C. Solomon group |
Collection hits:
| Collection Name |
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| pulling_gold_junctions |
| quantifying_helicality |
| SMeDACOPV |
| Ultra-Thin-Highly-Insulating-NHCs |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Apr-2026 | /Azobenzene Orca structures B2Azo | Leitherer, Susanne | Orca; 6.1.0; RELEASE | Geometry optimization | DFT | 6-311G** | -2260.38139520592267; Eh | |||
 | 27-Apr-2026 | Orca B2Azo in electric field | Leitherer, Susanne | Orca; 6.1.0; RELEASE | Geometry optimization | DFT | 6-311G** | -2260.39206906021809; Eh | |||
 | 27-Apr-2026 | Orca trans structure in electric field | Leitherer, Susanne | Orca; 6.1.0; RELEASE | Geometry optimization | DFT | 6-311G** | -1447.59962294036200; Eh | |||
 | 27-Apr-2026 | Orca cis file in electric field | Leitherer, Susanne | Orca; 6.1.0; RELEASE | Geometry optimization | DFT | 6-311G** | -1447.56288157588301; Eh | |||
 | 8-May-2026 | Transiesta prod | Leitherer, Susanne | Siesta; NO_VERSION_LABEL_AVAILABLE | Single point | GGAPBE | - | - | - | - | - |
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