A Consistent Reduced Network for HCN Chemistry in Early Earth and Titan Atmospheres: Quantum Calculations of Reaction Rate Coefficients.

@article{Pearce2019ACR,
  title={A Consistent Reduced Network for HCN Chemistry in Early Earth and Titan Atmospheres: Quantum Calculations of Reaction Rate Coefficients.},
  author={Ben K D Pearce and Paul W. Ayers and Ralph Egon Pudritz},
  journal={The journal of physical chemistry. A},
  year={2019},
  volume={123 9},
  pages={
          1861-1873
        }
}
HCN is a key ingredient for synthesizing biomolecules such as nucleobases and amino acids. We calculate 42 reaction rate coefficients directly involved with or in competition with the production of HCN in the early Earth or Titan atmospheres. These reactions are driven by methane and nitrogen radicals produced via UV photodissociation or lightning. For every reaction in this network, we calculate rate coefficients at 298 K using canonical variational transition state theory (CVT) paired with… Expand

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