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A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated

Lukas Krep1, Felix Schmalz1, Florian Solbach1

  • 1Institute of Technical Thermodynamics, RWTH Aachen University, North Rhine-Westphalia, 52062, Aachen, Germany.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|December 13, 2022
PubMed

Keywords:
ChemTraYzerChlorinated organic compoundsDibenzofuransParAMSReactive force fieldsSelf-learning transition-state search

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