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(a) Huisgen, R. In 1,3-Dipolar Cydoaddition Chemistry; Padwa, A., Ed.; Wiley: New York, 1984; Vol. 1, pp 1-176.
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19
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0342686977
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note
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The authors have deposited X-ray crystallographic data, a description of the structure determination, and tables of atomic coordinates, anisotropic displacement coefficients, bond lengths and angles for this structure with the Cambridge Crystallographic Data Centre (registry number CCDC-135482), and are available on request from the Director of the CCDC, 12 Union Road, Cambridge CB2 1EZ, UK.
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(a) 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. M.; 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 94, Revision D.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
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Cheeseman, J.R.7
Keith, T.8
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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.M.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
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28
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0343993088
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note
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To clarify the discussion, the terms endo and exo refer to the orientation of the dipolarophile substituent with respect to the heterodiene fragment of the dipole during the approach of both reactants.
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29
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0343993085
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note
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One of the reviewers has pointed out the possibility that the PM3 results on reduced models might not fully establish the concertedness of their reactions, as well as the steric effects controlling the facial diastereoselection.
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30
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0002714675
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