PlumX Metrics
Embed PlumX Metrics

A simple model for a reaction surface

Theoretica Chimica Acta, ISSN: 0040-5744, Vol: 67, Issue: 6, Page: 439-447
1985
  • 9
    Citations
  • 0
    Usage
  • 1
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

Article Description

An analytical expression, which has some claim to be the simplest possible, is proposed for the potential governing a collinear reaction. It shows the desired qualitative features but, with only one available parameter, cannot fit a given surface accurately everywhere. The quality of fitting attainable is shown using the surface for the O + H reaction. Because of the simple form of this expression, it is possible to make broad generalizations about such reactions. From a plausible assumption about the parameter value the energy barrier and the transition state geometry can be predicted. These barriers agree well with those suggested by Johnston and Parr for hydrogen transfer reactions. © 1985 Springer-Verlag.

Provide Feedback

Have ideas for a new metric? Would you like to see something else here?Let us know