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Advances in Physical Chemistry
Volume 2012 (2012), Article ID 164752, 19 pages
http://dx.doi.org/10.1155/2012/164752
Review Article

Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems

Departamento de Química Física, Universidad de Extremadura, 06071 Badajoz, Spain

Received 11 May 2011; Accepted 14 July 2011

Academic Editor: Laimutis Bytautas

Copyright © 2012 J. Espinosa-Garcia et al. 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.

Citations to this Article [6 citations]

The following is the list of published articles that have cited the current article.

  • M. Monge-Palacios, M. Yang, and J. Espinosa-García, “QCT and QM calculations of the Cl(2P) + NH3 reaction: influence of the reactant well on the dynamics,” Physical Chemistry Chemical Physics, vol. 14, no. 14, pp. 4824, 2012. View at Publisher · View at Google Scholar
  • Yu. V. Suleimanov, J. W. Allen, and W. H. Green, “RPMDRATE: Bimolecular chemical reaction rates from ring polymer molecular dynamics,” Computer Physics Communications, vol. 184, no. 3, pp. 833–840, 2013. View at Publisher · View at Google Scholar
  • Joaquin Espinosa-Garcia, and Jose C. Corchado, “The abstraction reaction of H and C-H stretch excited CHD3: A QCT study on an ab initio based potential energy surface,” Computational And Theoretical Chemistry, vol. 1006, pp. 123–126, 2013. View at Publisher · View at Google Scholar
  • M. Monge-Palacios, C. Rangel, and J. Espinosa-Garcia, “Ab initio based potential energy surface and kinetics study of the OH + NH3 hydrogen abstraction reaction,” The Journal of Chemical Physics, vol. 138, no. 8, pp. 084305, 2013. View at Publisher · View at Google Scholar
  • J. C. Corchado, J. Espinosa-Garcia, and M. Monge-Palacios, “Dynamics study of the OH + NH3 hydrogen abstraction reaction using QCT calculations based on an analytical potential energy surface,” Journal Of Chemical Physics, vol. 138, no. 21, 2013. View at Publisher · View at Google Scholar
  • Xin Xu, Jun Chen, and Dong H. Zhang, “Global Potential Energy Surface for the H+CH4↔H2+CH3 Reaction using Neural Networks,” Chinese Journal of Chemical Physics, vol. 27, no. 4, pp. 373–379, 2014. View at Publisher · View at Google Scholar