One-Alpha Descriptor

Document Type : Research Paper

Authors

1 University fo Split

2 islamic azad university

Abstract

Recently, one-two descriptor has been defined and it has been shown that it is a good predictor of the heat capacity at P constant (CP) and of the total surface area (TSA). In this paper, we analyze its generalizations by replacing the value 2 by arbitrary positive value . We show that these analyses may be on interest, because even good predictions of CP and TSA can be slightly improved. Furthermore, it can be expected that this more general descriptor can find a wider range of application than the original one. The extremal values of trees have been found for all values of .

Keywords

Main Subjects

References

1. D. Vukičević, M. Bralo, A. Klarić, A. Markovina, D. Spahija, A. Tadić and A. Žilić,
One-Two descriptor, J. Math. Chem. 48 (2010) 395–400.
2. R. Todeschini and V. Consonni, Handbook of Molecular Descriptors, Wiley−VCH,
Weinheim, 2000.
3. N. Trinajstić, Chemical Graph Theory, CRC Press, Boca Raton, 1992.
4. J. Devillers and A. T. Balaban (Eds.), Topological indices and related descriptors in
QSAR and QSPR, Gordon and Breach, Amsterdam, 1999.
5. M. Karelson, Molecular Descriptors in QSAR/QSPR, Wiley−Interscience, New York,
2000.
6. http://www.iamc-online.org/
7. http://www.moleculardescriptors.eu/dataset/dataset.htm
8. D. Vukičević and M. Gašperov, Bond additive modeling 1. Adriatic indices, Croat.
Chem. Acta 83 (3) (2010) 243–260.
9. D. Vukičević, Bond additive modeling 2. Mathematical properties of max-min rodeg
index, Croat. Chem. Acta 83 (3) (2010) 261–273.
10. D. Vukičević, Bond additive modeling 3. Comparison between the product-connectivity
index and sum-connectivity index, Croat. Chem. Acta 83 (3) (2011) 349−351.
11. D. Vukičević, Bond additive modeling 4. QSPR and QSAR studies of variable adriatic
indices, Croat. Chem. Acta 84 (1) (2011) 87−91.
12. D. Vukičević, Bond additive modeling 5. Mathematical properties of variable sum
exdeg index, Croat. Chem. Acta 84 (1) (2011) 93–101.
Iranian Journal of Mathematical Chemistry
Volume 9, Issue 3
September 2018
Pages 179-186

Files

Share

How to cite

Statistics