I am very much contemplating a second edition of my book Computational Organic Chemistry, which is the basis of this blog. I have been in touch with Wiley and they are enthusiastic about a second edition.

Here is a list of some of the things I am contemplating as new topics for the second edition

  1. Discussion of the failures of many of the standard functionals (like B3LYP) to treat simple organics
  2. Predicting NMR, IR and ORD spectra
  3. Möbius compounds, especially aromatics
  4. π-π-stacking
  5. tunneling in carbenes (Schreiner and Allen’s great work)
  6. acidity of amino acids and remote protons
  7. bifurcating potential energy surfaces and the resultant need for dynamic considerations
  8. even more examples of dynamics – especially the roundabout SN2

So, I would like to ask my readers for suggestions of other ideas for new topics to add to the book. These can be extensions of the topics already covered, or brand new areas!

Additionally, I am planning on interviewing a few more people for the book, similar in spirit to the 6 interviews in the first addition. Again, I welcome any suggestions for computational chemists to interview!