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/content/aip/journal/jcp/140/1/10.1063/1.4861562
1.
1. Y. Paukku, K. R. Yang, Z. Varga, and D. G. Truhlar, J. Chem. Phys. 139, 044309 (2013).
http://dx.doi.org/10.1063/1.4811653
2.
2.See supplementary material http://dx.doi.org/10.1063/1.4861562 for extra information, which is given in two parts. The supplemental material replaces the entire supplemental material of the original article. Part 1 is a .pdf file containing the potential function of N2, a longer explanation of the N4 potential energy function than is given in the main article, Figures S1–S8, a Fortran routine to convert the internal coordinates to Cartesian coordinates, and the complete set of corrected ab initio data in internal coordinates. Part 2 is a .dat file with the complete set of corrected ab initio data in Cartesian coordinates. [Supplementary Material]
3.
3. R. J. Duchovic, Y. L. Volobuev, G. C. Lynch, T. C. Allison, J. C. Corchado, D. G. Truhlar, A. F. Wagner, and B. C. Garrett, Comput. Phys. Commun. 144, 169187 (2002);
http://dx.doi.org/10.1016/S0010-4655(01)00437-4
3.R. J. Duchovic, Y. L. Volobuev, G. C. Lynch, T. C. Allison, J. C. Corchado, D. G. Truhlar, A. F. Wagner, and B. C. Garrett, Comput. Phys. Commun. Erratum 156, 319322 (2004).
http://dx.doi.org/10.1016/S0010-4655(03)00434-X
4.
4.See http://comp.chem.umn.edu/potlib/ for the latest version of POTLIB that includes the present N4 potential energy surface.
http://aip.metastore.ingenta.com/content/aip/journal/jcp/140/1/10.1063/1.4861562
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/content/aip/journal/jcp/140/1/10.1063/1.4861562
2014-01-07
2016-12-10

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