Translational tunneling spectroscopy

The dynamics of the guest molecules in nonadecane/ urea have also been probed in detail by molecular dynamics simulations.The results indicate, inter alia, that the interaction between adjacent guest molecules in the tunnel exerts an important influence on their translational and reorientational motions and demonstrates that the reorientation of the guest molecules about the tunnel axis is coupled with movements of the host structure. Importantly, this work established links between the results from the molecular dynamics simulations and experimental results from IQNS spectroscopy. 

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