Spin relaxation and chemical exchange in NMR simulations.
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.
Cuperlovic
M
M
Department of Chemistry, University of California, Santa Barbara, California 93106, USA.
Meresi
G H
GH
Palke
W E
WE
Gerig
J T
JT
D003198:Computer Simulation; D005467:Floxuridine / Q000737:chemistry*; D006801:Humans; D009682:Magnetic Resonance Spectroscopy
D005467:Floxuridine