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A quantum mechanics-molecular mechanics study of dissociative electron transfer: The methylchloride radical anion in aqueous solution

Journal of Chemical Physics, ISSN: 0021-9606, Vol: 116, Issue: 14, Page: 6102-6110
2002
  • 8
    Citations
  • 0
    Usage
  • 12
    Captures
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Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    8
    • Citation Indexes
      8
  • Captures
    12

Article Description

An example of dissociative electron transfer of alkylhalides in solution was studied. By means of QM/MM simulations, the chemical processes taking place after the addition of an electron to a methylchloride molecule in aqueous solution were examined. Dynamical aspects of the dissociative electron transfer reaction were also analyzed. The resulting data were analyzed in detail.

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