Completed Optimised Structure of Threonine Molecule by Fuzzy Logic Modelling
In this study we applied the fuzzy logic approach in order to model the energy depending on the two torsion angles for the threonine (C NO ) molecule. The model is set up according to theoretical results obtained by the density functional theory (B3LYP) with a 6-31 G(d) basic set on a Gausian progra...
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Veröffentlicht in: | Zeitschrift für Naturforschung. A, A journal of physical sciences A journal of physical sciences, 2016-04, Vol.71 (4), p.381-386 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | In this study we applied the fuzzy logic approach in order to model the energy depending on the two torsion angles for the threonine (C
NO
) molecule. The model is set up according to theoretical results obtained by the density functional theory (B3LYP) with a 6-31 G(d) basic set on a Gausian program. We aimed to determine the best torsion angle values providing the energy of the molecule minimum by a fuzzy logic approach and to compare them with the density functional theory results. It was concluded that the fuzzy logic approach gives information about the untested data and its best value which are expensive and time-consuming to obtain by other methods and experimentation. |
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ISSN: | 0932-0784 1865-7109 |
DOI: | 10.1515/zna-2015-0424 |