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Bloch-Redfield-Wangsness theory engine implementation using symbolic processing software.

Abstract:

We describe a general method for the automated symbolic processing of Bloch-Redfield-Wangsness relaxation theory equations for liquid-phase spin dynamics in the algebraically challenging case of rotationally modulated interactions. The processing typically takes no more than a few seconds (on a contemporary single-processor workstation) and yields relaxation rate expressions that are completely general with respect to the spectral density functions, relative orientations, and magnitudes of th...

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Publication status:
Published

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Publisher copy:
10.1016/j.jmr.2006.09.023

Authors


Wagner-Rundell, N More by this author
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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
Journal of magnetic resonance (San Diego, Calif. : 1997)
Volume:
184
Issue:
2
Pages:
196-206
Publication date:
2007-02-05
DOI:
EISSN:
1096-0856
ISSN:
1090-7807
URN:
uuid:f4d201b8-2e2e-4986-8414-aaa3ff20197a
Source identifiers:
33658
Local pid:
pubs:33658

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