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Bonding forces pp 1–43Cite as

Extended hückel investigation of reaction mechanisms

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Part of the book series: Structure and Bonding ((STRUCTURE,volume 27))

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References

  1. Hoffmann, R., Lipscomb, W. N.: J. Chem. Phys. 36, 2179 (1962).

    Article  CAS  Google Scholar 

  2. Hoffmann, R., Gouterman, M.: J. Chem. Phys. 36, 2189 (1962).

    Article  CAS  Google Scholar 

  3. Hoffmann, R., Lipscomb, W. N.: J. Chem. Phys. 36, 3489 (1962).

    Article  CAS  Google Scholar 

  4. Hoffmann, R.: J. Chem. Phys. 39, 1397 (1963).

    Article  CAS  Google Scholar 

  5. Rein, R., Fukuda, N., Win, H., Clarke, G. A., Harris, F. E.: J. Chem. Phys. 45, 4743 (1966).

    Article  CAS  Google Scholar 

  6. Harris, F. E.: J. Chem. Phys. 48, 4027 (1968).

    Article  Google Scholar 

  7. Blyholder, G., Coulson, C. A.: Theoret. Chim. Acta 10, 316 (1968)

    Article  CAS  Google Scholar 

  8. Goodisman, J: J. Amer. Chem. Soc. 91, 6552 (1969).

    Article  CAS  Google Scholar 

  9. Woodward, R. B., Hoffmann, R.: J. Amer. Chem. Soc. 87, 395 (1965)

    Article  CAS  Google Scholar 

  10. Hoffmann, R., Woodward, R. B.: ibid., 87, 2046 (1965)

    Article  CAS  Google Scholar 

  11. Woodward, R. B., Hoffmann, R.: ibid., 87, 2511 (1965)

    Article  Google Scholar 

  12. Hoffmann, R., Woodward, R. B.: ibid., 87, 4388 (1965)

    Article  CAS  Google Scholar 

  13. Woodward, R. B., Hoffmann, R.: Angew. Chem. Int. Ed. Engl. 8, 781 (1969).

    Article  CAS  Google Scholar 

  14. Longuet-Higgins, H. C., Abrahamson, E. W.: J. Amer. Chem. Soc. 87, 2045 (1965).

    Article  CAS  Google Scholar 

  15. Woodward, R. B., Hoffmann, R.: The Conservation of Orbital Symmetry, Weinheim: Verlag Chemie, 1970; Hoffmann, R., Woodward, R. B.: Acc. Chem. Res., 1, 17 (1968).

    Google Scholar 

  16. Hoffmann, R.: J. Amer. Chem. Soc. 90, 1475 (1968).

    Article  CAS  Google Scholar 

  17. Hoffmann, R., Zeiss, G. D., Van Dine, G. W.: J. Amer. Chem. Soc. 90, 1485 (1968).

    Article  CAS  Google Scholar 

  18. Gleiter, R., Hoffmann, R.: J. Amer. Chem. Soc. 90, 5457 (1968).

    Article  CAS  Google Scholar 

  19. Walsh, A. D.: Trans. Faraday Soc. 45, 179 (1944).

    Article  Google Scholar 

  20. Hoffmann, R.: 23rd Int. Congr. Pure & Appl. Chem. 2, 233 (1971).

    Google Scholar 

  21. Hoffmann, R., Imamura, A., Hehre, W. J.: J. Amer. Chem. Soc. 90, 1499 (1968).

    Article  CAS  Google Scholar 

  22. Hoffmann, R., Gleiter, R., Mallory, F. B.: J. Amer. Chem. Soc. 92, 1460 (1970).

    Article  CAS  Google Scholar 

  23. Dobson, R. C., Hayes, D. M., Hoffmann, R.: J. Amer. Chem. Soc. 93, 6188 (1971).

    Article  CAS  Google Scholar 

  24. Hoffmann, R., Swaminathan, S., Odell, B. G., Gleiter, R.: J. Amer. Chem. Soc. 92, 7091 (1970).

    Article  CAS  Google Scholar 

  25. Segal, G. A.: J. Amer. Chem. Soc. 96, 7892 (1974).

    Article  CAS  Google Scholar 

  26. Gleiter, R., Stohrer, W. D., Hoffmann, R.: Helv. Chim. Acta 55, 893 (1972).

    Article  CAS  Google Scholar 

  27. Stohrer, W. D., Hoffmann, R.: J. Amer. Chem. Soc. 94, 779 (1972).

    Article  CAS  Google Scholar 

  28. Stohrer, W. D., Hoffmann, R.: J. Amer. Chem. Soc. 94, 1661 (1972).

    Article  CAS  Google Scholar 

  29. Hoffmann, R., Wan, C. C., Neagu, V.: Molec. Phys. 19, 113 (1970).

    Article  CAS  Google Scholar 

  30. Beltrame, P., Gavezzotti, A., Simonetta, M.: J. Chem. Soc. Perkin II 502, 1974.

    Google Scholar 

  31. Berson, J.A.: Acc. Chem. Res. 5, 406 (1972); Berson, J. A., Holder, R. W.: J. Amer. Chem. Soc. 95, 2037 (1973).

    Article  CAS  Google Scholar 

  32. Gavezzotti, A., Simonetta, M.: Tetrahedron 31, 1611 (1975).

    Article  CAS  Google Scholar 

  33. Hoffmann, R., Stohrer, W. D.: J. Amer. Chem. Soc. 93, 6941 (1971).

    Article  CAS  Google Scholar 

  34. Hoffmann, R.: Tetrahedron Letters 2907, 1970; Günther, H.: ibid., 5173, 1970.

    Google Scholar 

  35. Gavezzotti, A., Simonetta, M.: Tetrahedron Letters, 4155, 1975.

    Google Scholar 

  36. Berson, J. A., Pedersen, L. D., Carpenter, B. K.: J. Amer. Chem. Soc. 97, 240 (1975).

    Article  CAS  Google Scholar 

  37. Berson, J. A., Pedersen, L. D.: J. Amer. Chem. Soc. 97, 238 (1975).

    Article  CAS  Google Scholar 

  38. Doering, W. von E., Sachdev, K.: J. Amer. Chem. Soc. 96, 1168 (1974).

    Article  CAS  Google Scholar 

  39. Hoffmann, R., Howell, J. M., Muetterties, E. L.: J. Amer. Chem. Soc. 94, 3047 (1972).

    Article  CAS  Google Scholar 

  40. Berry, R. S.: J. Chem. Phys. 32, 933 (1960).

    Article  CAS  Google Scholar 

  41. Rosch, N., Hoffmann, R.: Inorg. Chem. 13, 2656 (1974).

    Article  Google Scholar 

  42. Hoffmann, R., Chen, M. M. L., Elian, M., Rossi, A. R., Mingos, D. M. P.: Inorg. Chem. 13, 2666 (1974).

    Article  CAS  Google Scholar 

  43. Hay, P. J., Thibeault, J. C., Hoffmann, R.: J. Amer. Chem. Soc. 97, 4884 (1975).

    Article  CAS  Google Scholar 

  44. Elian, M., Hoffmann, R.: Inorg. Chem. 14, 1058 (1975).

    Article  CAS  Google Scholar 

  45. Yates, J. T.: Chem. Eng. News 52 (34), 19 (1974).

    CAS  Google Scholar 

  46. Somorjai, G. A.: “Principles of Surface Chemistry”, Prentice-Hall, Englewood Cliffs, N. J. (1972).

    Google Scholar 

  47. Weinberg, W. H., Merrill, R. P.: Surface Sci. 33, 493 (1972).

    Article  CAS  Google Scholar 

  48. Einstein, T. L., Schrieffer, J. R.: Phys. Rev. B 7, 3629 (1973).

    Article  CAS  Google Scholar 

  49. Deuss, H., Avoird, A. Van der: Phys. Rev. B 8, 2441 (1973).

    Article  CAS  Google Scholar 

  50. Blyholder, G.: J. Chem. Phys. 62, 3193 (1975).

    Article  CAS  Google Scholar 

  51. Fassaert, D. J. M., Verbeek, H., Avoird, A. Van der: Surface Sci. 29, 501 (1972).

    Article  CAS  Google Scholar 

  52. Anders, L. W., Hansen, R. S., Bartell, L. S.: J. Chem. Phys. 59, 5277 (1973).

    Article  CAS  Google Scholar 

  53. Anders, L. W., Hansen, R. S., Bartell, L. S.: J. Chem. Phys. 62, 1641 (1975).

    Article  CAS  Google Scholar 

  54. Estrup, P. J., Anderson, J.: J. Chem. Phys. 45, 2254 (1966).

    Article  CAS  Google Scholar 

  55. Gomer, R., Wortman, R., Lundy, R.: J. Chem. Phys. 26, 1147 (1957).

    Article  CAS  Google Scholar 

  56. Adams, D. L., Germer, L. H.: Surface Sci. 26, 109 (1971).

    Article  CAS  Google Scholar 

  57. Anderson, A. B., Hoffmann, R.: J. Chem. Phys. 61, 4545 (1974).

    Article  CAS  Google Scholar 

  58. Bernasek, S. L., Siekhaus, W. J., Somorjai, G. A.: Phys. Rev. Lett. 30, 1202 (1973).

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Istituto di Chimica Fisica e Centro CNR, Università di Milano, via Golgi 19, 20133, Milano, Italy

    M. Simonetta & A. Gavezzotti

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  1. M. Simonetta
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  2. A. Gavezzotti
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© 1976 Springer-Verlag

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Simonetta, M., Gavezzotti, A. (1976). Extended hückel investigation of reaction mechanisms. In: Bonding forces. Structure and Bonding, vol 27. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-07671-9_1

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  • DOI: https://doi.org/10.1007/3-540-07671-9_1

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-07671-1

  • Online ISBN: 978-3-540-38195-2

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