Rogue Scholar

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

Publié 25 août 2022 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

Anglais

A Computational Study of the Nondissociative Mechanisms that Interchange Apical and Equatorial Atoms in Square Pyramidal Molecules

https://doi.org/10.1021/ic0519988

Publié 20 avril 2006 in Inorganic Chemistry

Auteurs Henry S. Rzepa, Marion E. Cass

Re-engineering potential energy surfaces: trapezoidally distorted π2s + π2s thermal cycloaddition/elimination reactions

https://doi.org/10.1039/a805668d

Publié 1 janvier 1998 in Journal of the Chemical Society, Perkin Transactions 2

Auteurs Carlota Conesa, Henry S. Rzepa

Anglais

The Houk–List transition states for organocatalytic mechanisms revisited

https://doi.org/10.1039/c3sc53416b

Publié 1 janvier 2014 in Chem. Sci.

Auteurs 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.