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Advances in Physical Chemistry
Volume 2012 (2012), Article ID 164752, 19 pages
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 [5 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.
- Yu. V. Suleimanov, J. W. Allen, and W. H. Green, “RPMDRATE: Bimolecular chemical reaction rates from ring polymer molecular d ynamics,” Computer Physics Communications, vol. 184, no. 3, pp. 833–840, 2013.
- 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.
- 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.
- J. C. Corchado, and J. Espinosa-Garcia, “Dynamics study of the OH + NH3 hydrogen abstraction reaction using QCT calc ulations based on an analytical potential energy surface,” Journal Of Chemical Physics, vol. 138, no. 21, 2013.