Concepedia

The Houk–List transition states for organocatalytic mechanisms revisited

Alan Armstrong, Roberto A. Boto, Paul Dingwall, Julia Contreras‐García, M J Harvey, Nicholas Mason, Henry S. Rzepa

Chemical Science · 2014 · 184 citations · 43 references

DOIFull text

Open access

Concepts

Abstract

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.

References

43

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 53.8K citations

, , +11

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 21.7K citations

, , +16

The ORCA program system

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 12.5K citations

, , +21

Revealing Noncovalent Interactions

Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 8.9K citations

, , +11

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

Julia Contreras‐García, Erin R. Johnson, Shahar Keinan et al. · Journal of Chemical Theory and Computation · 2011 · 3.8K citations

, , +16