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    Improved Approach for ab Initio Calculations of Rate Coefficients for Secondary Reactions in Acrylate Free-Radical Polymerization by Fernando A. Lugo, Mariya Edeleva, Paul H. M. Van Steenberge, Maarten K. Sabbe

    Published 2024-03-01
    “…The simulation results show that these two newly proposed approaches are promising for bridging the gap between experimental and computational chemistry methods in polymer reaction engineering.…”
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    Article
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