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A Machine-Learned Symbolic Committor for a Chemical Reaction: Isomerization in Retinal and p-Coumaric Acid

Year: 2026

Type: dataset

Abstract: This repository contains data for the publication: A Machine-Learned Symbolic Committor for a Chemical Reaction: Retinal Isomerization Isomerization in Retinal and p-Coumaric Acid

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.21642854

Authors: Töpfer, Kai, Lazzeri, Gianmarco, Ossanna, Vittoria, Bläß, Christopher J.I., Renner, Florian, Lattanzi, Gianluca, Covino, Roberto, Keller, Bettina G.

Institutions: Freie Universität Berlin, Frankfurt Institute for Advanced Studies, University of Trento, Goethe University Frankfurt

Language: English

Topic: Advanced Physical and Chemical Molecular Interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7171554372

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