Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-[(Aib-Aib-TOAC).sub.2]-Aib-OMe in acetonitrile
Article Abstract:
An ab initio integrated computational approach is applied to evaluate the interpretation of the continuous wave electron spin resonance (CW-ESR) spectra of the double-spin labeled, [3.sub.10]-helical, peptide Fmoc-[(Aib-Aib-TOAC).sub.2]-Aib-OMe dissolved in acetonitrile. It is suggested that combination of sensitive ESR spectroscopy and sophisticated modeling can provide three-dimensional (3D) structural and dynamic information on molecular systems.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Time-resolved electron paramagnetic resonance of photoinduced ion pairs in blends of polythiophene and fullerene derivatives
Article Abstract:
Time-resolved electron paramagnetic resonance (TR-EPR) at different temperatures is used to examine the substituted polythiophene and triethylenglycolpyrrolidino-C(sub 60) blends. It is found that when the temperature is increased, the spectra gradually loose their antiphase character and eventually consist of a signal totally in emission.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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