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Number of results
2005 | 108 | 1 | 95-102

Article title

Application of Genetic Algorithm for Extraction of the Parameters from Powder EPR Spectra

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EN

Abstracts

EN
The application of the stochastic genetic algorithm in tandem with the deterministic Powell method to automated extraction of the magnetic parameters from powder EPR spectra was described. The efficiency and robustness of such hybrid approach were investigated as a function of the uncertainty range of the parameters, using simulated data sets. The discussed results demonstrate superior performance of the hybrid genetic algorithm in fitting of complex spectra in comparison to the common Monte Carlo method joint with the Powell refinement.

Keywords

Contributors

author
  • Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Cracow, Poland
author
  • Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Cracow, Poland
author
  • Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Cracow, Poland

References

  • 1. J.R. Pilbrow, Appl. Magn. Res., 6, 161, 1994
  • 2. F.E. Mabbs, D. Collison, Electron Paramagnetic Resonance of d Transition Metal Compounds, Elsevier, Amsterdam 1992
  • 3. R. Krzyminiewski, R.M. Kowalczyk, A. Bielewicz-Mordalska, Z. Pajak, P. Czarnecki, J. Mol. Struct., 471, 243, 1998
  • 4. Z. Michalewicz, Genetic Algorithms + Data Structures = Evolution Programs, Springer-Verlang, Berlin 1992
  • 5. W.L. Meerts, M. Schmitt, G.C. Groenenboom, Can. J. Chem., 82, 804, 2004
  • 6. J.R. Pilbrow, Transition Ion Electron Paramagnetic Resonance, Clarendon Press, 1990
  • 7. A. Rockenbauer, Mol. Phys. Rep., 26, 117, 1999
  • 8. T. Spalek, P. Pietrzyk, Z. Sojka, J. Chem. Inf. Model., 45, 18, 2005
  • 9. D.E. Goldberg, Genetic Algorithms in Search, Optimization, and Machine Learning, Addison-Wesley, New York 1989
  • 10. B. Gil, J. Datka, S. Witkowski, Z. Sojka, E. Broclawik, Stud. Surf. Sci. Catal. D, 130, 3249, 2000

Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.bwnjournal-article-appv108n110kz
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