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• W2023434565 endingPage "9025" @default.
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• W2023434565 abstract "Subtle features of 13C NMR spectra of perdeuterated methyl groupings are discussed in detail in this work. Standard time-dependent second-order perturbation theory (WBR or Wangsness−Bloch−Redfield theory), couched in a Liouville space formalism, provides the theoretical framework for this development. It is revealed that the 13C line shape is dependent upon both the scalar coupling between magnetically equivalent deuterons and deuteron autocorrelated and cross-correlated quadrupolar spectral densities. As an experimental demonstration of the presented theory, iterative line shape analyses are applied to standard 13C spectra and Carr−Purcell spin−echo spectra for the 13C labeled perdeuterated methyl group in dl-alanine. An activation energy for methyl rotation is determined to be 21.9 ± 1.2 kJ/mol." @default.
• W2023434565 created "2016-06-24" @default.
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• W2023434565 date "2004-09-28" @default.
• W2023434565 modified "2023-09-24" @default.
• W2023434565 title "¹³C NMR Line Shapes in the Study of Dynamics of Perdeuterated Methyl Groups" @default.
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• W2023434565 doi "https://doi.org/10.1021/jp049854m" @default.
• W2023434565 hasPublicationYear "2004" @default.
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