Published in Henry Rzepa's Blog

In May 2015, the EPSRC funding council in the UK required researchers to publish the outcomes of the funded work to include an OA (open access) version of the narrative and to cite the managed research data used to support the research with a DOI (digital object identifier). I was discussing these aspects with a senior manager (research outcomes) at the EPSRC and he asked me to provide some examples from my area of chemistry;

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.

InChI=1S/C11H16NO2.C7H7O/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9;8-6-7-4-2-1-3-5-7/h5,10H,1-4,6-8H2;1-6,8H/t10-;/m0./s1ASDIUXRTGCHHNU-PPHPATTJSA-N

C 18 H 23 N 1 O 3

Published
Authors Nicholas Mason, Imperial College London, Nicholas Mason

#P opt=(CalcFC,TS,NoEigenTest,Tight) freq B3LYP/TZVP int=grid=ultrafin