Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5053
Title: SIMQUADNMR: a program for simulation and interpretation of multiple quantum-filtered NMR spectra of quadrupolar nuclei
Authors: N., D'Amelio
Gaggelli, Elena 
E., Molteni
Valensin, Gianni 
Issue Date: 2005
Project: None 
Journal: JOURNAL OF MAGNETIC RESONANCE
Abstract: 
In this paper, we present a computer program which simulates NMR multiple quantum-filtered spectra of quadrupolar nuclei as a function of physical parameters, of the type of experiment and experimental conditions. The program works by solving relaxation theory equations for the given system, and it can be useful in order to plan the ideal conditions to set up specific experiments or to give a physical interpretation of experimental results. The program allows to independently follow the dependence of individual coherences and relaxation rates as a function of up to 50 parameters regarding the physical properties of the system under investigation, sample conditions and instrumental setup making it an helpful tool also for teaching purposes. (C) 2004 Elsevier Inc. All rights reserved.
Description: 
37716
URI: http://hdl.handle.net/20.500.12779/5053
ISSN: 1090-7807
DOI: 10.1016/j.jmr.2004.10.005
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