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Advances in Physical Chemistry
Volume 2013 (2013), Article ID 673065, 7 pages
http://dx.doi.org/10.1155/2013/673065
Research Article

Calculated Entropies for n-Heptane, 2-Methylhexane, 2,3-Dimethylpentane, and Radicals from the Loss of H Atoms

Chemistry, Chemical Engineering and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, USA

Received 14 March 2013; Revised 17 May 2013; Accepted 19 May 2013

Academic Editor: Miquel Solà

Copyright © 2013 Jason M. Hudzik and Joseph W. Bozzelli. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

The Supplementary Materials includes the structures, symmetry values, moments of inertia, and vibrational frequencies for the parent and radical heptane isomers in this study. A comparison of calculated values using different torsional frequencies which represented vibrations replaced by internal rotation contributions is also illustrated.

  1. Supplementary Materials
  2. Supplementary Materials