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Moving on from F+H2: The More Challenging Reaction between Atomic Fluorine and Methylamine

Authors

  • Prof. Hao Feng,

    Corresponding author
    1. School of Physics and Chemistry and Research Center for Advanced Computation, Xihua University, Chengdu 610039 (China)
    • School of Physics and Chemistry and Research Center for Advanced Computation, Xihua University, Chengdu 610039 (China)
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  • Prof. Weiguo Sun,

    1. School of Physics and Chemistry and Research Center for Advanced Computation, Xihua University, Chengdu 610039 (China)
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  • Dr. Yaoming Xie,

    1. Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602 (USA)
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  • Prof. Henry F. Schaefer III

    Corresponding author
    1. Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602 (USA)
    • Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602 (USA)
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Abstract

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High-level theoretical methods are applied to the of F+CH3NH2 reaction. Two reaction paths lead to two products via two transition states. Both transition states lie energetically below the reactants, suggesting an inverse temperature dependence of the rate constants.

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