| Literature DB >> 18162425 |
Zsófia Szalay1, János Rohonczy.
Abstract
A new program MC-DNMR is presented for the simulation of dynamic nuclear magnetic resonance spectra. The algorithm is a Monte Carlo type method based on the extension of single spin vector model to coupled spin systems. This extension is explained in detail and the theory is justified by examples. The main advantage of this program is the significantly smaller sizes of matrices than that in programs based on density matrix theory. So spectra of systems can be simulated that was impossible previously.Mesh：
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Year: 2007 PMID： 18162425 DOI： 10.1016/j.jmr.2007.12.002
Source DB: PubMed Journal: J Magn Reson ISSN： 1090-7807 Impact factor: 2.229