Please use this identifier to cite or link to this item: https://ri.ufs.br/jspui/handle/riufs/20642
Document Type: Artigo
Title: Simulação de espectros de ressonância paramagnética eletrônica (RPE) através do programa NLSL
Other Titles: Simulation of electron paramagnetic resonance (EPR) spectra using the non-linear least squares program NLSL
Authors: Salmon, Carlos Ernesto Garrido
Sousa Neto, Diógenes de
Tabak, Marcel
Costa Filho, Antonio José da
Issue Date: Sep-2007
Abstract: EPR users often face the problem of extracting information from frequently low-resolution and complex EPR spectra. Simulation programs that provide a series of parameters, characteristic of the investigated system, have been used to achieve this goal. This work describes the general aspects of one of those programs, the NLSL program, used to fit EPR spectra applying a nonlinear least squares method. Several motion regimes of the probes are included in this computational tool, covering a broad range of spectral changes. The meanings of the different parameters and rotational diffusion models are discussed. The anisotropic case is also treated by including an orienting potential and order parameters. Some examples are presented in order to show its applicability in different systems.
Keywords: EPR simulations
Electron paramagnetic resonance (EPR)
Slow motion regime
Nonlinear Least-Squares (NLSL)
Ressonância paramagnética electrónica (RPE)
ISSN: 0100-4042
1678-7064
Is part of: Química Nova
Language: por
Publisher / Institution : Sociedade Brasileira de Química
Citation: SALMON, C. E. G. et al. Simulação de espectros de ressonância paramagnética eletrônica (RPE) através do programa NLSL. Química Nova, Campinas, v. 30, n. 5, p. 1240-1248, set./out. 2007. Disponível em: https://www.scielo.br/j/qn/a/hYxj7KWq3K9HfXmbDfKGNFC/?format=pdf. Acesso em: 5 dez. 2024.
License: Creative Commons Atribuição-NãoComercial 4.0 Internacional (CC BY-NC 4.0)
URI: https://ri.ufs.br/jspui/handle/riufs/20642
Appears in Collections:DFI - Artigos de periódicos

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