Gas phase reactions under single collision conditions are of enormous importance for understanding the chemical evolution of planetary atmospheres, plasma and the interstellar medium. The research tools for investigating these processes have been under intense development over the past few decades, both computationally and experimentally. In this research topic, we welcome applications of these tools for predicting the properties of relevant gas phase reactions, as well methodological developments.
Atmospheric, plasma and astrochemical models suffer from a lack of accurate data for collisions between the species available in each of these media. These may include thermochemical values, reactive rate coefficients and state-to-state cross sections. Computational chemistry is invaluable for obtaining these values. Using state of art electronic structure calculations, quasiclassical and quantum dynamics, as well as statistical approaches, it is often possible to predict data that can match the experimental values within its error bars when those are available, as well as being the only source of information for situations in which experiments are not currently possible. The goal of the present topic is to provide accurate new data, which will ultimately be used for a better understanding of these media.
We welcome contributions providing new insights and accurate data on collisions between the chemical species available on the atmosphere, plasma and in any region of the interstellar medium. The spectrum of possible properties covers reaction energies, mechanisms, preferred products, lifetimes, cross sections, rate coefficients, branching ratios and state-to-state probabilities.
Gas phase reactions under single collision conditions are of enormous importance for understanding the chemical evolution of planetary atmospheres, plasma and the interstellar medium. The research tools for investigating these processes have been under intense development over the past few decades, both computationally and experimentally. In this research topic, we welcome applications of these tools for predicting the properties of relevant gas phase reactions, as well methodological developments.
Atmospheric, plasma and astrochemical models suffer from a lack of accurate data for collisions between the species available in each of these media. These may include thermochemical values, reactive rate coefficients and state-to-state cross sections. Computational chemistry is invaluable for obtaining these values. Using state of art electronic structure calculations, quasiclassical and quantum dynamics, as well as statistical approaches, it is often possible to predict data that can match the experimental values within its error bars when those are available, as well as being the only source of information for situations in which experiments are not currently possible. The goal of the present topic is to provide accurate new data, which will ultimately be used for a better understanding of these media.
We welcome contributions providing new insights and accurate data on collisions between the chemical species available on the atmosphere, plasma and in any region of the interstellar medium. The spectrum of possible properties covers reaction energies, mechanisms, preferred products, lifetimes, cross sections, rate coefficients, branching ratios and state-to-state probabilities.