This comment points out that the conclusions of Gonzalez et al. in a recent paper this journal [J. Phys. Chem. A 2001, 105, 11034] arise from an inconsistent treatment of the coordinates and their associated reduced masses. We show this by discussing the issues involved in associating a reduced mass or effective mass with a reaction coordinate.
Revised: April 7, 2011 |
Published: May 15, 2003
Citation
Truhlar D.G., and B.C. Garrett. 2003.Reduced Mass in the One-Dimensional Treatment of Tunneling.Journal of Physical Chemistry A 107, no. 19:4006-4007.PNNL-SA-36694.