A computational chemistry dataset from paperswithcode detailing a transition state structure for a 5-coordinate intermediate. The data involves a trimethyl silyl enol reacting with tetramethylammonium fluoride, with fluorine in an axial position. It was authored by Henry S. Rzepa of Imperial College London and is published under an Open Access license.
Use Cases
- Validate quantum chemistry calculations for organosilicon reaction pathways (inferred from domain, verify after download)
- Benchmark transition state search algorithms for hypervalent silicon intermediates (inferred from domain, verify after download)
Strengths
- Published on paperswithcode.
- Authored by a researcher from Imperial College London.
- Available under an Open Access license.
Limitations
- Metadata is minimal; actual content requires verification after download.
- Column-level documentation is absent; field semantics must be inferred after download.
- Row count and file size are unknown, which may limit suitability assessment.
Provenance
- Source
- Henry S. Rzepa, Imperial College London