Spin relaxation and chemical exchange in NMR simulations

J Magn Reson. 2000 Jan;142(1):11-23. doi: 10.1006/jmre.1999.1812.

Abstract

Theory for describing the density matrix of a spin system experiencing chemical exchange and relaxation during the steps of an NMR experiment is presented in a form suitable for computation. Features in the theory that arise from exchange are discussed in detail, and comparisons to the exchange-free situation are made. A general computer program to carry out simulations of NMR experiments is described, and several examples of its performance are presented.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Computer Simulation
  • Floxuridine / chemistry*
  • Humans
  • Magnetic Resonance Spectroscopy*

Substances

  • Floxuridine