Chemical Sciences

Four stages in the evolution of interactive ESI as part of articles in chemistry journals.

https://doi.org/10.59350/qypm4-qfv97
Published in Henry Rzepa's Blog

A previous post was triggered by Peter alerting me that interactive electronic supporting information ( IESI ) we had submitted to a journal in 2005[cite]10.1021/ic0519988[/cite] appeared to be strangely missing from the article landing page. This set me off recollecting our journey, which had started around 1998, and to explore what the current state of these ancient IESI s were in 2022.

References

The Houk–List transition states for organocatalytic mechanisms revisited

https://doi.org/10.1039/c3sc53416b
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.