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Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation

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Abstract

Several characteristic features of the least squares method when solving the quantum QSPR fundamental equation are discussed.

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References

  1. R. Carbó-Dorca, Multimolecular polyhedra and QSPR. J. Math. Chem. 52, 1848–1856 (2014)

    Article  Google Scholar 

  2. R. Carbó-Dorca, Quantum polyhedra, definitions, statistics and the construction of a collective quantum similarity index. J. Math. Chem. 53, 171–182 (2015)

    Article  Google Scholar 

  3. R. Carbó-Dorca, Collective vectors, condensed indices and quantum similarity, IQCC Technical Report TC-2015-2. Frontiers in computational chemistry (in preparation)

  4. R. Carbó-Dorca, Quantum multimolecular polyhedra, collective vectors, quantum similarity and quantum QSPR fundamental equation, IQCC Technical Report TC-2015-4

  5. R. Carbó-Dorca, E. Besalú, Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces. J. Math. Chem. 50, 210–219 (2012)

    Article  Google Scholar 

  6. R. Carbó-Dorca, Collective euclidian distances and quantum similarity. J. Math. Chem. 51, 338–353 (2013)

    Article  Google Scholar 

  7. R. Carbó-Dorca, Communications on quantum similarity (4): collective distances computed by means of similarity matrices, as generators of intrinsic ordering among quantum multimolecular polyhedra, IQCC Technical Report TC-2015-1. WIREs (submitted for publication)

  8. R. Carbó-Dorca, Mathematical aspects of the LCAO MO first order density function (5): centroid shifting of MO ShF basis set, properties and applications. J. Math. Chem. 51, 289–296 (2013)

    Article  Google Scholar 

  9. M. Bunge, Causality and Modern Science: Third Revised Edition (Dover, New York, 2011)

    Google Scholar 

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Acknowledgments

The author wishes to specify that this work has been developed under a Prometeo fellowship, and acknowledges the SENESCYT, Government of Ecuador, for granting it.

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Authors and Affiliations

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

    Ramon Carbó-Dorca

  2. Departamento de Química, Universidad Técnica Particular de Loja, 1101608, Loja, Ecuador

    Ramon Carbó-Dorca

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

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Carbó-Dorca, R. Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation. J Math Chem 53, 1651–1656 (2015). https://doi.org/10.1007/s10910-015-0521-7

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  • DOI: https://doi.org/10.1007/s10910-015-0521-7

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