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Preprint Sep 2026

Discovering Kinetically Significant Reaction Mechanisms Beyond Chemical Intuition in Condensed-Phase Radiolysis

Many important chemical systems, from radiation-driven processes to condensed-phase photochemistry, involve reaction mechanisms that are so complex it is a challenge to characterize them experimentally or predict them from chemical intuition. Existing computational approaches to mechanism discovery typically assess pat...

Nitesh Kumar, Jacob R. Milton, E. Sivonxay et al. · 0 citations

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