Fast and accurate algorithm for the simulation of NMR spectra of large spin systems

Journal of Magnetic Resonance

Volumn 209, Issue 2, 2011, Pages 123-130

  Castillo, Andrés M ^a   Patiny, Luc ^b   Wist, Julien ^c  

^a UNIVERSIDAD NACIONAL DE COLOMBIA   (Colombia)

^b EPFL   (Switzerland)

^c UNIVERSIDAD DEL VALLE   (Colombia)

Author keywords

Clustering; NMR; Quantum spin dynamics; Scalar coupling; Spectra Simulation

Indexed keywords

CLUSTERING; NMR; QUANTUM SPIN DYNAMICS; SCALAR COUPLING; SPECTRA SIMULATION;

COMPUTER SCIENCE; HAMILTONIANS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

SPIN DYNAMICS;

CHOLESTEROL; ISOBUTYLMETHYLCARBINOL; PENTANOL;

ALGORITHM; ARTICLE; CHEMISTRY; CLUSTER ANALYSIS; COMPUTER SIMULATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN CONFORMATION; REPRODUCIBILITY; STATISTICAL ANALYSIS; STATISTICAL MODEL; STATISTICS;

ALGORITHMS; CHOLESTEROL; CLUSTER ANALYSIS; COMPUTER SIMULATION; DATA INTERPRETATION, STATISTICAL; LINEAR MODELS; MAGNETIC RESONANCE SPECTROSCOPY; PENTANOLS; PROTEIN CONFORMATION; REPRODUCIBILITY OF RESULTS;

EID: 79953202802     PISSN: 10907807     EISSN: 10960856     Source Type: Journal    
DOI: 10.1016/j.jmr.2010.12.008     Document Type: Article

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