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Reviews: R. Hoffmann, Acc. Chem. Res. 1971, Vol. 4, 1; R. Gleiter, Angew. Chem. 1974, 86, 770; Angew. Chem. Int. Ed. Engl. 1974, 13, 696; R. Gleiter, W. Schäfer, Acc. Chem. Res. 1990, 23, 369; M. N. Paddon-Row, ibid. 1982, 15, 245; M. Eckert-Maksic' in Theoretical Models of Chemical Bonding (Ed.: Z. B. Maksic'), Springer, Heidelberg, Germany, 1991, p. 153.
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Reviews: R. Hoffmann, Acc. Chem. Res. 1971, Vol. 4, 1; R. Gleiter, Angew. Chem. 1974, 86, 770; Angew. Chem. Int. Ed. Engl. 1974, 13, 696; R. Gleiter, W. Schäfer, Acc. Chem. Res. 1990, 23, 369; M. N. Paddon-Row, ibid. 1982, 15, 245; M. Eckert-Maksic' in Theoretical Models of Chemical Bonding (Ed.: Z. B. Maksic'), Springer, Heidelberg, Germany, 1991, p. 153.
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A. Imamura, M. Ohsaku, Tetrahedron 1981, 37, 2191. Use of NBOs to analyze the TS/TB interaction: M. N. Paddon-Row, K. D. Jordan, J. Chem. Soc. Chem. Commun. 1988, 1508; M. N. Paddon-Row, S. S. Wong, K. D. Jordan, J. Am. Chem. Soc. 1990, 112, 1710; ibid. J. Chem. Soc. Perkin Trans 2 1990, 414; C. A. Naleways, L. A. Curtiss, J. R. Miller, J. Phys. Chem. 1991, 95, 8434; C. Liang, M. Newton, ibid. 1992, 96, 2855; M. N. Paddon-Row, K. D. Jordan, J. Am. Chem. Soc. 1993, 115, 2952; R. Gleiter, H. Lange, O. Borzyk, ibid. 1996, 118, 4889; see also E. Heilbronner, A. Schmelzer, Helv. Chim. Acta 1975, 58, 936.
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A. Imamura, M. Ohsaku, Tetrahedron 1981, 37, 2191. Use of NBOs to analyze the TS/TB interaction: M. N. Paddon-Row, K. D. Jordan, J. Chem. Soc. Chem. Commun. 1988, 1508; M. N. Paddon-Row, S. S. Wong, K. D. Jordan, J. Am. Chem. Soc. 1990, 112, 1710; ibid. J. Chem. Soc. Perkin Trans 2 1990, 414; C. A. Naleways, L. A. Curtiss, J. R. Miller, J. Phys. Chem. 1991, 95, 8434; C. Liang, M. Newton, ibid. 1992, 96, 2855; M. N. Paddon-Row, K. D. Jordan, J. Am. Chem. Soc. 1993, 115, 2952; R. Gleiter, H. Lange, O. Borzyk, ibid. 1996, 118, 4889; see also E. Heilbronner, A. Schmelzer, Helv. Chim. Acta 1975, 58, 936.
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A. Imamura, M. Ohsaku, Tetrahedron 1981, 37, 2191. Use of NBOs to analyze the TS/TB interaction: M. N. Paddon-Row, K. D. Jordan, J. Chem. Soc. Chem. Commun. 1988, 1508; M. N. Paddon-Row, S. S. Wong, K. D. Jordan, J. Am. Chem. Soc. 1990, 112, 1710; ibid. J. Chem. Soc. Perkin Trans 2 1990, 414; C. A. Naleways, L. A. Curtiss, J. R. Miller, J. Phys. Chem. 1991, 95, 8434; C. Liang, M. Newton, ibid. 1992, 96, 2855; M. N. Paddon-Row, K. D. Jordan, J. Am. Chem. Soc. 1993, 115, 2952; R. Gleiter, H. Lange, O. Borzyk, ibid. 1996, 118, 4889; see also E. Heilbronner, A. Schmelzer, Helv. Chim. Acta 1975, 58, 936.
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A. Imamura, M. Ohsaku, Tetrahedron 1981, 37, 2191. Use of NBOs to analyze the TS/TB interaction: M. N. Paddon-Row, K. D. Jordan, J. Chem. Soc. Chem. Commun. 1988, 1508; M. N. Paddon-Row, S. S. Wong, K. D. Jordan, J. Am. Chem. Soc. 1990, 112, 1710; ibid. J. Chem. Soc. Perkin Trans 2 1990, 414; C. A. Naleways, L. A. Curtiss, J. R. Miller, J. Phys. Chem. 1991, 95, 8434; C. Liang, M. Newton, ibid. 1992, 96, 2855; M. N. Paddon-Row, K. D. Jordan, J. Am. Chem. Soc. 1993, 115, 2952; R. Gleiter, H. Lange, O. Borzyk, ibid. 1996, 118, 4889; see also E. Heilbronner, A. Schmelzer, Helv. Chim. Acta 1975, 58, 936.
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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
Oritz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
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