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• W1999983721 abstract "A method for calculation of dynamic nuclear magnetic resonance (NMR) line shapes of molecules undergoing reorientation diffusion about a single rotation axis in a symmetric threefold potential is developed using the general theory of Freed. The method is used to calculate deuterium NMR spectra of molecules undergoing reorientational diffusion in a model potential of the form V(φ)=−V0 cos 3φ, as a function of the diffusion constant DR, and the potential strength V0. It is found that for V0 smaller than kT the resulting line shapes are very similar to those obtained in a potential-free diffusion. When V0&gt;kT the uneven distribution of the molecules and the hindering effect of the potential barrier have significant effects on the line shape. In this region two distinct motional effects of the diffusion process are observed: (i) At low DR values molecular diffusion within the potential wells results in averaging of the local distribution and consequently to line narrowing. (ii) At sufficiently high DR values diffusion between the potential wells results in lifetime broadening effects similar to those observed in jump processes. Relations between the diffusion constants and the discrete jump rates are discussed." @default.
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• W1999983721 date "1991-05-01" @default.
• W1999983721 modified "2023-09-23" @default.
• W1999983721 title "Dynamic magnetic resonance line shapes in a symmetric threefold potential" @default.
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• W1999983721 doi "https://doi.org/10.1063/1.460699" @default.
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