ADDITION/CORRECTION pubs.acs.org/JPCC
Correction to “Exploring the Sodium Cation Location and Aluminum Distribution in ZSM-5: A Systematic Study by the Extended ONIOM (XO) Method” Zhen-Kun Chu, Gang Fu, Wenping Guo, and Xin Xu* The Journal of Physical Chemistry C 2011, 115, 14754–14761 DOI: 10.1021/jp201454t The following errata were found in the published article: A term, “E(Frag 1∩Frag 2@Low)”, was missing in the equation for E(XO) as shown in the original Figure 2. E(XO) should consist of seven terms instead of six. The corrected Figure 2 should read as follows: Accordingly, there are two errata in the discussion of Figure 2 on page 14756: (a) “the XO energy finally consists of six terms” should read “the XO energy finally consists of seven terms” and (b) “each of the six terms can be calculated” should be “each of the seven terms can be calculated”. These corrections do not affect the calculation results of the original article, as there is no such error in the implementation of our software. We hereby thank Prof. Qiang Cui of the University of Wisconsin, Madison, for kindly pointing out the errata.
Figure 2. Computational schemes of the ONIOM2 and XO2 methods.
Published: December 21, 2011 1625
dx.doi.org/10.1021/jp211667t | J. Phys. Chem. C 2012, 116, 1625–1625
