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Explicit formulae for MQ‐filtered COSY of an arbitrary number of magnetically equivalent sets of spin‐1/2 nuclei
Author(s) -
Shekar S. C.,
Krishnan V. V.
Publication year - 1993
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260310602
Subject(s) - spins , fortran , observable , computation , chemistry , quantum number , spin (aerodynamics) , spectral line , set (abstract data type) , modular design , feature (linguistics) , matrix (chemical analysis) , density matrix , quantum mechanics , quantum , physics , algorithm , mathematics , condensed matter physics , operating system , linguistics , philosophy , chromatography , computer science , thermodynamics , programming language
Expressions for the density matrix and the observable spectra are explicitly presented for multiple quantum (MQ) filtered correlation spectroscopy pertaining to weakly coupled spin‐½ nuclei. A feature of most general nature is preserved throughout the calculations, namely arbitrary number of magnetically equivalent sets, with no restriction on the number of spins contained in a given set. The equations have been encoded in a modular fashion into the code PQFCOSY in Fortran language for ease of computation.