The second edition of my book Computational Organic Chemistry has finally been published. The book is available directly from the publisher (Wiley) or from Amazon.

The book web page ( has been largely updated to reflect the new content: the complete Table of Contents is available as are links to all of the citations. I hope to have all of the molecules added to the web site soon. (All of the materials associated with the First Edition of the book are still available through this same site.)

You’ll notice the great cover for the Second Edition. The image is of the molecular complex designed by Iwamoto and co-workers,1 which I blogged about in this post. The image was prepared by my sister Lisa! (You can see more of her work here.)

The book contains a lot of updated materials along with a great deal of new sections and chapters. The next couple of blog posts will go into some detail about what is new in the Second Edition.

I do want to thank all of the commenters to my blog for their encouragement towards both maintaining this blog service and writing the Second Edition. The many comments helped inform my selections of new materials to include in the new edition.

I hope you enjoy the book and as always I welcome any and all comments and feedback!


(1) Iwamoto, T.; Watanabe, Y.; Sadahiro, T.; Haino, T.; Yamago, S. "Size-Selective Encapsulation of C60 by [10]Cycloparaphenylene: Formation of the Shortest Fullerene-Peapod," Angew. Chem. Int. Ed. 2011, 50, 8342-8344, DOI: 10.1002/anie.201102302