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Quantum similarity, volume functions and generalized Carbó indices

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Abstract

In this paper it is described a new family of homothetic functions, derived from quantum mechanical density functions (DF), which here are called volume functions (VF), appearing with such a sufficient entity level as to merit description. Shape functions become the first term of the VF collection. VFs are elements of the unit shell of the DFs generated collection of tensorial product spaces. Besides these properties, here is shown that the construction of generalized Carbó indices can be proved to be feasible, as a consequence of the use of generalized scalar products and the appropriate definition of another alternative kind of homothetic DFs.

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References

  1. Parr R.G., Bartolotti L.J.: J. Phys. Chem. 87, 2810 (1983)

    Article  CAS  Google Scholar 

  2. Carbó-Dorca R.: J. Math. Chem. 23, 365 (1988)

    Article  Google Scholar 

  3. Geerlings P., De Proft F., Langenaeker W.: Chem. Rev. 103, 1793 (2003)

    Article  CAS  Google Scholar 

  4. Bultinck P., Carbó-Dorca R.: J. Math. Chem. 36, 191 (2004)

    Article  CAS  Google Scholar 

  5. Carbó-Dorca R.: J. Math. Chem. 32, 201 (2002)

    Article  Google Scholar 

  6. Carbó-Dorca R.: J. Math. Chem. 44, 628 (2008)

    Article  Google Scholar 

  7. Carbó-Dorca R.: J. Math. Chem. 47, 331 (2010)

    Article  Google Scholar 

  8. R. Carbó-Dorca, E. Besalú, Shells, Point Cloud Huts, Generalized Scalar Products, Cosines and Similarity Tensor Representations in Vector Semispaces. IQC technical report TC 2001-1

  9. Carbó R., Leyda L., Arnau M.: Int. J. Quantum Chem. 17, 1185–1189 (1980)

    Article  Google Scholar 

  10. Carbó R., Domingo Ll.: Int. J. Quantum Chem. 32, 517–545 (1987)

    Article  Google Scholar 

  11. Carbó R., Calabuig B.: Int. J. Quantum Chem. 42, 1681–1693 (1992)

    Article  Google Scholar 

  12. Carbó R., Calabuig B.: Int. J. Quantum Chem. 42, 1695–1709 (1992)

    Article  Google Scholar 

  13. Carbó R., Besalú E., Calabuig B., Vera L.: Adv. Quantum Chem. 25, 253 (1994)

    Article  Google Scholar 

  14. R. Carbó, E. Besalú, Theoretical Foundation of Quantum Similarity in Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches, ed. by R. Carbó Understanding Chemical Reactivity, vol 14. (Kluwer Academic Publishers, Amsterdam, 1995), pp. 3–30

  15. Carbó R., Besalú E., Amat Ll., Fradera X.: J. Math. Chem. 19, 47 (1996)

    Article  Google Scholar 

  16. Carbó-Dorca R., Besalú E.: J. Molec. Struct.(Theochem.) 451, 11 (1998)

    Article  Google Scholar 

Download references

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Authors and Affiliations

  1. Institut de Química Computacional, Universitat de Girona, Girona, 17071, Catalonia, Spain

    Ramon Carbó-Dorca

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  1. Ramon Carbó-Dorca
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Correspondence to Ramon Carbó-Dorca.

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Carbó-Dorca, R. Quantum similarity, volume functions and generalized Carbó indices. J Math Chem 49, 2109–2115 (2011). https://doi.org/10.1007/s10910-011-9878-4

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  • DOI: https://doi.org/10.1007/s10910-011-9878-4

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