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Spin relaxation and chemical exchange in NMR simulations
M Cuperlovic1, G H Meresi, W E Palke
1Department of Chemistry, University of California, Santa Barbara, California 93106, USA.
Journal of Magnetic Resonance (San Diego, Calif. : 1997)
|January 5, 2000
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.