Abstract
In several articles we have reported algorithms to count resonance structures for convex cyclofusenes and parallelogram-like benzenoids with and without holes using a combinatorial/geometric approach. In this article, using the same approach we report algorithms that facilitate resonance structure counts in both contorted and flat hexabenzocoronene.
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S. Karimi, M. Lewinter, S. Kalyanswamy, J. Math. Chem. 50, 904–913 (2012)
S. Karimi, A. Delgado, M. Lewinter, J. Math. Chem. 38, 913–916 (2008)
S. Karimi, A. Delgado, M. Lewinter, J. Math. Chem. 47, 167–173 (2010)
T. Bocchi, S. Karimi, M. Lewinter, J. Math. Chem. 35, 339–344 (2004)
S.J. Cyvin, B.N. Cyvin, J. Brunvoll, H. Hosoya, F. Zhang, D.J. Klein, R. Chen, O.E. Polansky, Monatsh. Chem. 122, 435–444 (1991)
J. Brunvoll, B.N. Cyvin, S.J. Cyvin, J. Chem. Inf. Comput. Sci. 27, 14–21 (1987)
J. Brunvoll, B.N. Cyvin, S.J. Cyvin, I. Gutman, R. Tosic, M. Kovacevic, J. Mol. Struct. (Theochem.) 184, 165–177 (1989)
M. Gordon, W.H.T. Davison, J. Chem. Phys. 20, 428–435 (1952)
M. Randić, J. Chem. Soc. Faraday Trans. 2(72), 232–243 (1976)
A.T. Balaban, M. Randić, J. Chem. Inf. Comput. Sci. 44, 50–59 (2004)
E. Clar, J.F. Stephen, Tetrahedron 21, 467–470 (1965)
S. Xiao, J. Tang, T. Beetz, X. Guo, N. Tremblay, T. Siegrist, Y. Zhu, M. Steigerwald, C. Nuckolls, J. Am. Chem. Soc. 128, 10700–10701 (2006) (references therein)
M. Randić, D. Vukičević, A.T. Balaban, M. Vračko, D. Plavšić, J. Comput. Chem. 33, 1111–1122 (2012)
M. Randić, S. El-Basil, J. Mol. Struct. (Theochem.) 110, 233–245 (1994)
X. Feng, J. Wu, V. Enkelmann, K. Müllen, Org. Lett. 8, 1145–1148 (2006)
M.D. Watson, A. Fechtenkötter, K. Müllen, Chem. Rev. 101, 1267–1300 (2001)
P. Herwig, C. Kayser, K. Müllen, H.W. Spiess, Adv. Mater. 8, 510–513 (1996)
A. Stabel, P. Herwig, K. Müllen, Angew. Chem. 107, 335–339 (1995)
H.P. Stabel, K. Müllen, Angew. Chem. Int. Ed. Engl. 34, 1609–1611 (1995)
A.M. van de Craats, J.M. Warman, A. Fechtenkötter, J.D. Brand, M.A. Harbison, K. Müllen, Adv. Mater. 11, 1469–1472 (1999)
A. Fechtenkötter, K. Saalwachter, M.A. Harbison, K. Müllen, H.W. Spiess, Angew. Chem. Int. Ed. 38, 3039–3042 (1999)
S. Chandrasekhar, Liq. Cryst. 14, 3–14 (1993)
D. Adam, F. Closs, T. Frey, D. Funhoff, D. Haarer, H. Ringsdorf, P. Schuhmacher, K. Siemensmeyer, Phys. Rev. Lett. 70, 457–460 (1993)
M. Randić, V. Solomon, S.C. Grossman, D.J. Klein, N. Trinajstić, Int. J. Quantum Chem. 32, 35–59 (1987)
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Karimi, S., Lewinter, M., Kuepfert, M. et al. Resonance structure counts in contorted and flat hexabenzocoronenes. J Math Chem 51, 817–825 (2013). https://doi.org/10.1007/s10910-012-0118-3
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DOI: https://doi.org/10.1007/s10910-012-0118-3