Published in Henry Rzepa's Blog

OK, you have to be British to understand the pun in the title, a famous comedy skit about four candles. Back to science, and my mention of some crystal data now having a DOI in the previous post. I thought it might be fun to replicate the contents of one of my ACS slides here. Firstly, a DOI is one implementation of a more generic (and quite old) concept known as a Handle. This is one form of a persistent digital identifier.

References

The Houk–List transition states for organocatalytic mechanisms revisited

Published in Chem. Sci.
Authors Alan Armstrong, Roberto A. Boto, Paul Dingwall, Julia Contreras-García, Matt J. Harvey, Nicholas J. Mason, Henry S. Rzepa

The ten year old Houk–List model for rationalising the origin of stereoselectivity in the organocatalysed intermolecular aldol addition is revisited, using a variety of computational techniques that have been introduced or improved since the original study.