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(a) Padrón, J. M.; Kokotos, G.; Martin, T.; Markidis, T.; Gibbons, W.; Martin, V. S. Tetrahedron: Asymmetry 1998, 9, 3381-3394.
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33845279751
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For the use and removal of N-arylsulfonyl protecting groups, see: (a) Roemmele, R. C.; Rappoport, H. J. Org. Chem. 1988, 53, 2367-2371.
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(b) Ferraris, D.; Young, B.; Cox, C.; Dudding, T.; Drury, W. J.; Ryzhkov, L.; Taggi, A. E.; Lectka, T. J. Am. Chem. Soc. 2002, 124, 67-77.
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21
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0347456914
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note
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External iodide is also necessary to achieve complete conversion when the cerium(III) method is used. See ref 2d.
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23
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0345491105
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B3LYP: (a) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
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(b) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652, 6-31G*:
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Becke, A.D.1
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26
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0004133516
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Gaussian, Inc.: Pittsburgh, PA
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The 6-31G* Gaussian basis set and the hybrid functional B3LYP, to include electronic correlation, was used with the Gaussian 98W program: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.6; Gaussian, Inc.: Pittsburgh, PA, 1998.
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Gaussian 98, Revision A.6
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
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27
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0003241578
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The International Series of Monographs of Chemistry; Halpen, J., Green, M. L. H., Eds.; Clarendon Press: Oxford
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The method used was that developed by Bader et al. in their theory "Atom in Molecules (AIM)": Bader, R. F. W. In Atoms in Molecules: A Quantum Theory; The International Series of Monographs of Chemistry; Halpen, J., Green, M. L. H., Eds.; Clarendon Press: Oxford, 1990; pp 1-438.
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Atoms in Molecules: A Quantum Theory
, pp. 1-438
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Bader, R.F.W.1
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30
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0004201016
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Oxford University Press: Oxford
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(d) Gilespie, R. J.; Popelier, P. L. A. In Chemical Bonding and Molecular Geometry: From Lewis to Electron Densities; Oxford University Press: Oxford, 2001; pp 134-268. The program used was AIM2000, Version 1.0, designed by Biegler-König, F. and programed by Biegler-König, F.; Bayles, D.; Schönbohm J., with chemical advice by Bader, R. F. W.
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(2001)
Chemical Bonding and Molecular Geometry: From Lewis to Electron Densities
, pp. 134-268
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Gilespie, R.J.1
Popelier, P.L.A.2
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31
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0346195502
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note
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The Laplacian of the electron density shows where the electron density is locally concentrated or depleted as assumed.
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