Methods of analysis and simulation of electron spin resonance (ESR) or electron paramagnetic resonance (EPR) spectra. Description of a software for the applications of magnetic resonance to physical -chemistry and biophysics with examples of spectral simulations and least-squares fitting.
http://www.esr-spectsim-softw.fr/
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Analysis and Simulation of ESR Spectra | esr-spectsim-softw.fr Reviews
https://esr-spectsim-softw.fr
Methods of analysis and simulation of electron spin resonance (ESR) or electron paramagnetic resonance (EPR) spectra. Description of a software for the applications of magnetic resonance to physical -chemistry and biophysics with examples of spectral simulations and least-squares fitting.
esr-spectsim-softw.fr
Magnetic Resonance Software
http://www.esr-spectsim-softw.fr/programs.htm
For the applications of magnetic resonance to physical chemistry and biophysics. Simulation programs have been written in APL language for the multiple applications of magnetic resonance to the physical chemistry of condensed matter: liquid phase, glassy or polycrystalline media and liquid crystals. They are dealing with Electron Spin Resonance. As well as with Nuclear Magnetic Resonance. Spectra of radicals, triplet states, biradicals or radical pairs, paramagnetic ions of electron spin 1/2 (ESR). Relax...
Triplet states and biradicals
http://www.esr-spectsim-softw.fr/triplets.htm
Triplet states and biradicals. In a magnetic field, a system of two unpaired electron spins give rise to three energy levels depending on the orientation of this field in the frame of the dipolar tensor. Figure 25). The dipolar interaction between two electron spins is generally expressed as a function of the fine structure parameters. Being the pricipal values of the traceless tensor. Energy levels and transitions of the S = 1, I = 0 system for. Along the Z axis of the. To the first order and for a weak.
References
http://www.esr-spectsim-softw.fr/refs.htm
1 JA Pople, D.L. Beveridge, Approximate Molecular Orbital Theory, McGraw-Hill, N.Y. 1970. 2 PC Taylor, J.F. Baugher, H.M. Kriz, Chem. Rev. 75. 3 NM Atherton, Principles of Electron Spin Resonance, chap. 3, Ellis Horwood, New-York 1993. 4 JR Pilbrow, Transition Ions Electron Paramagnetic Resonance, Clarendon Press, Oxford 1990. 5 JAR Coope, Chem. Phys. Letters, 3. 6CP Poole, Electron Spin Resonance, A Comprehensive Treatise on Experimental Techniques, Wiley Interscience, N.Y. 1983. 632 et 764 (1956).
Spin probes
http://www.esr-spectsim-softw.fr/spin_probes.htm
The nitroxide radicals are of widespread use as spin labels or spin probes in the applications of ESR to physical-chemistry and biophysics on account of their thermal stability and of the significant anisotropy of the. Tensors (figure 10). Many examples of their applications are gathered in refs. (22-24). They are in continuous progress owing to improved simulation methods. As well as to advanced experimental techniques such as the Fourier transform and very high field ESR spectroscopy. Is indeed quite d...
The author
http://www.esr-spectsim-softw.fr/author.htm
15 rue des Sources, 91530 Sermaise (France). E-mail: cab.ch@orange.fr. Chemical engineer (1959), Dr. Engineer (Paris Univ. 1962), Dr. Sciences (Orsay 1968). Research worker at the Nuclear Research Center of Saclay from 1962 to 1993. Head of the ESR and high resolution NMR laboratories at the Department of Physical Chemistry. Present activity: computer programming in association with several laboratories. Kinetics of solid state polymerization. 947; and UV radiation induced free radicals in organic glasses.
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Analysis and Simulation of ESR Spectra
ANALYSIS AND SIMULATION OF ELECTRON SPIN RESONANCE SPECTRA OF RANDOMLY ORIENTED PARAMAGNETIC SPECIES.
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