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• W53528251 abstract "Continuous-wave electron paramagnetic resonance is known as one of the most powerful spectroscopic tools to investigate structure and dynamics in simple and complex paramagnetic molecules in isotropic and oriented media. Information is stored in the spectral line shape, but its extraction requires some computational and theoretical efforts. Here, we review approaches to interpret and predict electron paramagnetic resonance spectra in solution, which are based on the integration of different theoretical/computational tools. Software implementation is also discussed." @default.
• W53528251 created "2016-06-24" @default.
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• W53528251 date "2015-01-01" @default.
• W53528251 modified "2023-09-26" @default.
• W53528251 title "Computational Electron Paramagnetic Resonance Spectroscopy" @default.
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• W53528251 doi "https://doi.org/10.1016/b978-0-12-409547-2.10930-8" @default.
• W53528251 hasPublicationYear "2015" @default.
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