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Creators/Authors contains: "Kokoouline, V"

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  1. ; ; ; (, The Journal of Chemical Physics)
    Dissociative recombination of the OH+ ion with free electrons is modeled theoretically using a recently developed approach that is based on first-principles calculations and multichannel quantum defect theory. The coupling between the incident electron and the rovibrational motion of the ion is accounted for. The cross section of the process at collision energies 10−6–1 eV and the thermally averaged rate coefficient at 10–1000 K are evaluated. The obtained anisotropic rate coefficients agree well with the data from a recent experiment carried out at the Cryogenic Storage Ring, especially when compared to previous theoretical values, which are smaller than the experimental results by about a factor of about 30. 
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    Free, publicly-accessible full text available May 5, 2026
  2. ; ; ; ; (, Journal of Physics: Conference Series)
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  3. ; ; ; ; ; (, Journal of Physics: Conference Series)
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  4. ; ; ; ; ; (, Monthly Notices of the Royal Astronomical Society)
    ABSTRACT Formamide is a potentially important molecule in the context of pre-biotic chemistry, since reactions involving it can lead to precursors of genetic and metabolic molecules. Being abundant in cometary material and in star-forming regions, the formation and destruction routes of interstellar formamide have been the focus of several studies. In this work, we focus on the electron recombination of protonated formamide, an important step of its destruction routes, by performing rigorous ab initio calculations of this process. We found that our values are in good agreement with previous qualitative estimates of the global rate coefficients. On the contrary, we propose a substantial revision of the products and branching ratios. Finally, we justify and emphasize the importance of carrying out similar theoretical calculations on the largest possible number of complex species of astrochemical interest. 
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  5. ; ; ; ; (, Physical Review A)
  6. ; ; ; ; ; (, Monthly Notices of the Royal Astronomical Society)
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