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ISRN Physical Chemistry
Volume 2012 (2012), Article ID 570394, 12 pages
Research Article

Theoretical Study of Hydrogen Bond Formation in Trimethylene Glycol-Water Complex

Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, West Bengal, Kharagpur 721302, India

Received 30 August 2012; Accepted 18 September 2012

Academic Editors: J. G. Han, T. Kar, and A. Vergara

Copyright © 2012 Snehanshu Pal and T. K. Kundu. 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 file consist of the optimized structures of TMG-dimer, TMG-2 Water, TMG-1 water(TD), TMG-1 water(WD) as .mol file which can be open in GaussView to look at the molecular structure, though the same can be opened by using notepad to get the coordinates of the optimized structures. Structure of these systems are provided as figure in the manuscript and these are included as supplementary materials for providing the coordinates of the optimized structure.

  1. Supplementary Material