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