We explore the use of feed forward artificial neural networks for determining rotational correlation times from slow motional nitroxide electron spin resonance spectra. This approach is rapid and potentially eliminates the need for traditional iterative fitting procedures. Two networks are examined:
A new approach for the simulation of ESR lineshapes over a large range of correlation times
β Scribed by H. Eviatar; E. van Faassen; Y.K. Levine
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 318 KB
- Volume
- 195
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
A new approach for the simulation ofESR lineshapes over a range of correlation times extending from the Redfield limit to the rigid limit is described. The use of a separable operator for the dynamics of a spin label in a uniaxial liquid crystal ("Kangaroo dynamics") allows an algebraic solution of the stochastic Liouville equation. This procedure avoids the numerical instability resulting from clustering of eigenvalues inherent in the conventional solution using an eigenfunction expansion.
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