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18f were used. The results are +133 and +224 for 2a and 3a, respectively.(a) Ahlrichs, R.; Bär, M.; Häser, M.; Horn, H.; Kölmel, C. Chem. Phys. Lett. 1989, 162, 165. Current version: see http://www.turbomole.de.(b) Becke, A. D. J. Chem. Phys. 1993, 98, 5648. Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623. (c) Schäfer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571. (d) Bauernschmitt, R.; Ahlrichs, R. Chem. Phys. Lett. 1996, 256, 454. (e) Grimme, S. Chem. Phys. Lett. 2001, 339, 380. (f) Grimme, S.; Furche, F.; Ahlrichs, R. Chem. Phys. Lett. 2002, 361, 321. (g) Dunning, T. H. J. Chem. Phys. 1993, 98, 7059. Kendall, R. A.; Dunning, T. H.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796. (h) Becke, A. D. Phys. Rev. A. 1988, 38, 3098. Perdew, J. B. Phys. Rev. B. 1986, 33, 8822.
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