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See, for example: Katritzky, A. R., Rees, C. W., Scriven, E. F. V., Eds. Comprehensive Heterocyclic Chemistry II; Elsevier: Oxford, 1996; Vols. 1-9.
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Comprehensive Heterocyclic Chemistry II
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Katritzky, A.R.1
Rees, C.W.2
Scriven, E.F.V.3
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5
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0042621862
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(a) Katritzky, A. R.; Barczynski, P.; Musumarra, G.; Pisano, D.; Szafran, M. J. Am. Chem. Soc. 1989, 111, 7.
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Katritzky, A.R.1
Barczynski, P.2
Musumarra, G.3
Pisano, D.4
Szafran, M.5
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6
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0001719845
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(b) Katritzky, A. R.; Feygelman, V.; Musumarra, G.; Barczynski, P.; Szafran, M. J. Prakt. Chem. 1990, 332, 853.
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Katritzky, A.R.1
Feygelman, V.2
Musumarra, G.3
Barczynski, P.4
Szafran, M.5
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7
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0000185346
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(c) Katritzky, A. R.; Feygelman, V.; Musumarra, G.; Barczynski, P.; Szafran, M. J. Prakt. Chem. 1990, 332, 870.
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Katritzky, A.R.1
Feygelman, V.2
Musumarra, G.3
Barczynski, P.4
Szafran, M.5
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9
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0000815416
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(e) Katritzky, A. R.; Karelson, M.; Malhotra, N. Heterocycles 1991, 32, 127.
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Heterocycles
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Katritzky, A.R.1
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Malhotra, N.3
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10
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0029271229
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(a) Krygowski, T. M.; Ciesielski, A.; Bird, C. W.; Kotschy, A. J. Chem. Inf. Comput. Sci. 1995, 35, 203.
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Krygowski, T.M.1
Ciesielski, A.2
Bird, C.W.3
Kotschy, A.4
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15
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0010400041
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(f) Krygowski, T. M.; Cyranski, M.; Ciesielski, A.; Swirska, B.; Leszczynski, P. J. Chem. Inf. Comput. Sci. 1996, 36, 1135.
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Krygowski, T.M.1
Cyranski, M.2
Ciesielski, A.3
Swirska, B.4
Leszczynski, P.5
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16
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0000416305
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(g) Krygowski, T. M.; Wisiorowski, M.; Nakata, K.; Fujio, M.; Tsuno, Y. Bull. Chem. Soc. Jpn. 1996, 69, 2275.
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Krygowski, T.M.1
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Nakata, K.3
Fujio, M.4
Tsuno, Y.5
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18
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33748247829
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(a) Schleyer, P. von R.; Freeman, P. K.; Jiao, H.; Goldfuβ B. Angew. Chem., Int. Ed. Engl. 1995, 34, 337;
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Angew. Chem., Int. Ed. Engl.
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Schleyer, P.V.R.1
Freeman, P.K.2
Jiao, H.3
Goldfuß, B.4
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19
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0001621298
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(b) Angew. Chem. 1995, 107, 332.
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Angew. Chem.
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21
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0030457576
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(d) Subramanian, G.; Schleyer, P. von R.; Jiao, H. Angew. Chem., Int. Ed. Engl. 1996, 35, 2638.
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Subramanian, G.1
Schleyer, P.V.R.2
Jiao, H.3
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22
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85087247520
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note
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3d shows a possible shift in their position as they concluded: "The quantitative relationship among the magnetic, energetic and geometric criteria of aromaticity has been demonstrated recently for a wide ranging set of five-membered heterocycles. However, we emphasize here that other influences are important."
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24
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0542381468
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note
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3b went further, claiming one single relationship: "Unsere Arbeit zerstreut die pessimistische Schluβfolgerung von Katritzky et al., indem sie demonstriert, daβ eine lineare Beziehung zwischen den energetischen, geometrischen und magnetischen Kriterien für Aromatizität besteht und daβ sich dieser Zusammenhang sogar auf antiaromatische Systeme erstreckt." (An accurate translation of which is, "ork dispels the pessimistic conclusion of Katritzky et al. in that it demonstrates that a linear relationship exists between the energetic, geometric and magnetic criteria of aromaticity and that this relationship even extends to anti-aromatic systems.")
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25
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0542452724
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note
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Through 1996, ref 7a,b had been cited 41 times, ref 7c 8 times.
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27
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4243415695
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(b) Angew. Chem. 1995, 107, 323.
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Angew. Chem.
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29
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0004133516
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Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Comperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision B.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
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Gaussian 94, Revision B.1
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Comperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
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30
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0542381464
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Clementi, E., Ed.; STEF: Cagliary, Chapter 9
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VanWuellen, C.; Kutzelnigg, W. In Methods and Techniques in Computational Chemistry: METECC-94; Clementi, E., Ed.; STEF: Cagliary, 1993, Vol. B, Chapter 9.
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Methods and Techniques in Computational Chemistry: METECC-94
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VanWuellen, C.1
Kutzelnigg, W.2
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0011190497
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Schleyer, P. von R.; Maerker, C.; Dransfeld, A.; Jiao, H.; van Eikema Hommes, N. J. R. J. Am. Chem. Soc. 1996, 118, 6317.
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Schleyer, P.V.R.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.4
Van Eikema Hommes, N.J.R.5
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32
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0542428985
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note
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We excluded fulvene from these calculations as fulvene is not generally considered an aromatic compound, as is also consistent with its very low ASE and Λ values: 1.9 and 1.9, respectively.
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