<p>Description of a large number of datasets related to gas-phase reaction kinetics (Re), high-resolution molecular spectroscopy (Spec), and thermochemistry (Th), called <Emphasis FontCategory="NonProportional">ReSpecTh</Emphasis>, is presented. The datasets contain accurate and validated experimental, empirical, and computed, machine-searchable data, and, whenever possible, the corresponding metadata. <Emphasis FontCategory="NonProportional">ReSpecTh</Emphasis> data and the accompanying utility codes can be used in several engineering and scientific fields either separately or simultaneously, such as simulation of combustion reactions, atmospheres of planets and exoplanets, and stellar and interstellar environments.</p>

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ReSpecTh: Reaction kinetics, spectroscopy, and thermochemical datasets

  • Tamás Turányi,
  • István Gy. Zsély,
  • Máté Papp,
  • Tibor Nagy,
  • Tibor Furtenbacher,
  • Roland Tóbiás,
  • Péter Árendás,
  • Attila G. Császár

摘要

Description of a large number of datasets related to gas-phase reaction kinetics (Re), high-resolution molecular spectroscopy (Spec), and thermochemistry (Th), called ReSpecTh, is presented. The datasets contain accurate and validated experimental, empirical, and computed, machine-searchable data, and, whenever possible, the corresponding metadata. ReSpecTh data and the accompanying utility codes can be used in several engineering and scientific fields either separately or simultaneously, such as simulation of combustion reactions, atmospheres of planets and exoplanets, and stellar and interstellar environments.