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Supplementary Data for Modeling Reaction Feasibility to Identify New Opportunities for Sigmatropic Rearrangements

Year: 2026

Type: supplementary-materials

Abstract: Zipped XYZ files from calculations

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.22019172

Authors: Casetti, Nicholas, Liles, Jordan P., Stuyver, Thijs, Coley, Connor

Institutions: Massachusetts Institute of Technology, Chimie ParisTech - PSL

Language: English

Topic: Physical Organic Chemistry and Reaction Kinetics

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7203760463

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