 |
 |
 |
 |
 |
 |
 |
 |
 Dipolar cross-relaxation in a two-spin system
 |
 |
 |
 |
 |
 |

Organization: | University of Oxford |
Department: | Physical and Theoretical Chemistry Laboratory |
 |
 |
 |
 |
 |
 |
 2005-01-21
 |
 |
 |
 |
 |
 |
 This is a simple program for calculation of diamagnetic dipolar relaxation and cross- relaxation rates between user-specified nuclear spin orders in a two-spin system. The internuclear distance is assumed to be fixed (rigid molecule). The calculation uses group theoretical properties of the dipolar interaction Hamiltonian, expanding it into a sum of irreducible tensor operators, which are rotated using Wigner matrices. The Wigner matrix elements are then autocorrelated in the Bloch-Redfield-Wangsness theory treatment.
 |
 |
 |
 |
 |
 |

 |
 |
 |
 |
 |
 |
 NMR, relaxation, spectroscopy
 |
 |
 |
 |
 |
 |

| Dipolar cross-relaxation 7.0.nb (14.4 KB) - Mathematica Notebook |
 |
 |