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Part of the book series: Lecture Notes in Chemistry ((LNC,volume 38))

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Abstract

The most important calculations on molecules are for their ground states, which are usually “closed shells” with 2 electrons in each orbital.

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References

  1. O. Sinanoglu and H.Ö. Pamuk, J. Am. Chem. Soc. 95, 5435 (1973).

    Article  CAS  Google Scholar 

  2. M.J.S. Dewar and G.P. Ford, J. Am. Chem. Soc. 101, 5558 (1979).

    Article  CAS  Google Scholar 

  3. S. de Bruijn, Chem. Phys. Letters 52, 76 (1977).

    Article  Google Scholar 

  4. L. Åsbrink, C. Fridh, E. Lindholm and S. de Bruijn, Chem. Phys. Letters 66, 411 (1979).

    Article  Google Scholar 

  5. L. Åsbrink, C. Fridh and E. Lindholm in Chemical Spectroscopy and Photochemistry in the Vacuum-Ultraviolet (Edited by C. Sandorfy, P. Ausloos and M.B. Robin), Reidel, Dordrecht (1974).

    Google Scholar 

  6. R.G. Jesaitis, J. Am. Chem. Soc. 93, 3849 (1971).

    Article  CAS  Google Scholar 

  7. H.A. Germer Jr., J. Chem. Soc. 58, 3524 (1973).

    CAS  Google Scholar 

  8. F.E. Harris, A. Trautwein and J. Delhalle, Chem. Phys. Letters 72, 315 (1980).

    Article  CAS  Google Scholar 

  9. D.N. Nanda and K. Jug, Theoret. Chim. Acta 57, 95 (1980).

    Article  CAS  Google Scholar 

  10. J.A. Pople and D.L. Beveridge, Approximate Molecular Orbital Theory, McGraw-Hill, New York (1970).

    Google Scholar 

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

    Article  CAS  Google Scholar 

  12. L. Åsbrink, C. Fridh and E. Lindholm, Chem. Phys. Letters 52, 63 (1977).

    Article  Google Scholar 

  13. R. Pariser and R.G. Parr, J. Chem. Phys. 21, 466, 767 (1953).

    Article  CAS  Google Scholar 

  14. N.C. Baird and M.J.S. Dewar, J. Chem. Phys. 50, 1262 (1969).

    Article  CAS  Google Scholar 

  15. M.J.S. Dewar and D.H. Lo, J. Am. Chem. Soc. 93, 7201 (1971).

    Article  CAS  Google Scholar 

  16. R.S. Mulliken, J. Chim. Phys. 46, 497, 675 (1949).

    CAS  Google Scholar 

  17. M.D. Newton, F.P. Boer and W.N. Lipscomb, J. Am. Chem. Soc. 88, 2353 (1966).

    Article  CAS  Google Scholar 

  18. S.P. McGlynn, L.G. Vanquickenborne, M. Kinoshita and D.G. Carroll, Introduction to Applied Quantum Chemistry, Holt, Rinehart and Winston, New York (1972) p.327.

    Google Scholar 

  19. M.J.S. Dewar and W. Thiel, J. Am. Chem. Soc. 99, 4899 (1977).

    Article  CAS  Google Scholar 

  20. W. Thiel, J.C.S. Faraday II, 76, 302 (1980).

    Article  CAS  Google Scholar 

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© 1985 Springer-Verlag Berlin Heidelberg

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Lindholm, E., Åsbrink, L. (1985). Molecules. In: Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method. Lecture Notes in Chemistry, vol 38. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-45595-7_6

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  • DOI: https://doi.org/10.1007/978-3-642-45595-7_6

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-15659-8

  • Online ISBN: 978-3-642-45595-7

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