POLYRATE-version 8.5.1 by
J. C. Corchado, Y.-Y. Chuang, P. L. Fast,
J. Villà, W.-P. Hu, Y.-P. Liu,
G. C. Lynch,A. Nguyen,C. F. Jackels,
V. S. Melissas, B. J. Lynch,
I. Rossi, E. L . Coitiño, A. Fernandez-Ramos,
R. Steckler, B. C. Garrett, A. D. Isaacson, and D.
G. Truhlar
Department of Chemistry and Supercomputing Institute,
University of Minnesota, Minneapolis, MN 55455-0431, USA
and
MOPAC-version 5.09mn by J. J. P. Stewart, I. Rossi, W.-P. Hu, G. C.
Lynch,
Y.-P. Liu, Y.-Y. Chuang, J. Li, C. J. Cramer, P. L. Fast, and D. G. Truhlar
Department of Chemistry and Supercomputing Institute,
University of Minnesota, Minneapolis, MN 55455-0431, USA