Calculation of MAS spectra influenced by slow molecular tumbling.

  title={Calculation of MAS spectra influenced by slow molecular tumbling.},
  author={Christian Mayer},
  journal={Journal of magnetic resonance},
  volume={139 1},
A numeric algorithm is proposed that is suitable to calculate spectral lineshapes influenced by isotropic and anisotropic tumbling under sample spinning conditions. It is based on the stochastic Liouville equation and a rotational diffusion process described by a stationary Markov operator. A corresponding FORTRAN program can be implemented on a regular personal computer. The calculations result in spectral lineshapes including a complete set of spinning sidebands. The sensitive time scale of… CONTINUE READING

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