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Br. Patent 852,981, 1960
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Other authors reported the preparation of 1, but no characterization was given: (b) Halleux, A. L. Br. Patent 852,981, 1960.
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0038333048
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For related Pd-catalyzed cycloadditions of arynes, see: (a) Peña, D.; Escudero, S.; Pérez, D.; Guitián, E.; Castedo, L. Angew. Chem., Int. Ed. 1998, 37, 2659-2661. (b) Peña, D.; Pérez, D.; Guitián, E.; Castedo, L. J. Am. Chem. Soc. 1999, 121, 5827-5828.
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Escudero, S.2
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Castedo, L.5
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19
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0038333050
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For related Pd-catalyzed cycloadditions of arynes, see: (a) Peña, D.; Escudero, S.; Pérez, D.; Guitián, E.; Castedo, L. Angew. Chem., Int. Ed. 1998, 37, 2659-2661. (b) Peña, D.; Pérez, D.; Guitián, E.; Castedo, L. J. Am. Chem. Soc. 1999, 121, 5827-5828.
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20
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0442314018
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note
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24, calcd 528.1878, found 528.1869.
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21
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0442298413
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note
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13C NMR spectrum.
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23
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0842341771
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Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. P. J. Am. Chem. Soc. 1985, 107, 3902-3909.
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Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.P.4
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24
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0442298414
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MacSpartan Plus; Wavefunction, Inc.; 18401 Von Karman Ave., #370, Irvine, CA 92715
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MacSpartan Plus; Wavefunction, Inc.; 18401 Von Karman Ave., #370, Irvine, CA 92715.
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25
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0004133516
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Gaussian, Inc., Pittsburgh, PA
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Gaussian 94, Revision E.2. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; 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.; Gomperts, 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, Inc., Pittsburgh, PA, 1995.
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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.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
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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
Gomperts, 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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27
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0030037764
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(a) Janke, R. H.; Haute, G.; Würthwein, E.-U.; Borkent, J. H. J. Am. Chem. Soc. 1996, 118, 6031-6035.
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29
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0442314012
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note
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3 transition state.
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32
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0345491105
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(b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1998, 37, 785-789.
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Lee, C.1
Yang, W.2
Parr, R.G.3
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33
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0442282545
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note
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For the racemization of [5]helicenes, the BLYP method has also been shown to be superior than the hybrid B3LYP (ref 17).
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