OPTESIM, a versatile toolbox for numerical simulation of electron spin echo envelope modulation (ESEEM) that features hybrid optimization and statistical assessment of parameters

Journal of Magnetic Resonance

Volumn 200, Issue 1, 2009, Pages 21-28

  Sun, Li ^a   Hernandez Guzman, Jessica ^a   Warncke, Kurt ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

EPR; ESEEM; Optimization; Simulation

Indexed keywords

ADJUSTABLE PARAMETERS; APPLICATION EXAMPLES; ARBITRARY NUMBER; CHEMICAL MODEL; COARSE-TO-FINE; CONFIDENCE LEVELS; CONFIDENCE REGION; DEPHASING; ELECTRON PARAMAGNETIC RESONANCE SPECTROSCOPY; ELECTRON SPIN-ECHO ENVELOPE MODULATIONS; EPR; ESEEM; EXPERIMENTAL CONDITIONS; EXTERNAL MAGNETIC FIELD; FAST ALGORITHMS; G-VALUE; GLOBAL MINIMA; HYBRID OPTIMIZATION; HYPERFINE TENSORS; MATLAB ENVIRONMENT; MUTUAL ORIENTATION; NUMERICAL SIMULATION; OPTIMIZATION METHOD; OPTIMIZED SIMULATION; PARAMAGNETIC SYSTEMS; PARAMAGNETS; PARAMETER SPACES; PRINCIPAL AXIS; SIMULATION; SIMULATION PARAMETERS; SPIN HAMILTONIAN; STATISTICAL ANALYSIS; STATISTICAL ASSESSMENT; TIME-SCALE;

COMPUTER SIMULATION; CONVERGENCE OF NUMERICAL METHODS; ELECTRON RESONANCE; ELECTRONIC STRUCTURE; ELECTRONS; GLOBAL OPTIMIZATION; HAMILTONIANS; MAGNETIC FIELDS; MATHEMATICAL MODELS; MATLAB; MODULATION; OPTIMIZATION; PARAMAGNETIC MATERIALS; PARAMAGNETIC RESONANCE; PARAMAGNETISM; POWDERS; QUANTUM THEORY; SPIN DYNAMICS; SPIN POLARIZATION; SPIN-LATTICE RELAXATION;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

COPPER; ENZYME; ETHANOLAMINE AMMONIA LYASE; HISTAMINE; NITROGEN;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; ELECTRON SPIN RESONANCE; ENZYMOLOGY; INSTRUMENTATION; METHODOLOGY; POWDER; SALMONELLA; SPIN LABELING; STATISTICAL ANALYSIS; STATISTICAL MODEL;

ALGORITHMS; COMPUTER SIMULATION; COPPER; DATA INTERPRETATION, STATISTICAL; ELECTRON SPIN RESONANCE SPECTROSCOPY; ENZYMES; ETHANOLAMINE AMMONIA-LYASE; HISTAMINE; MODELS, MOLECULAR; MODELS, STATISTICAL; NITROGEN ISOTOPES; POWDERS; SALMONELLA; SOFTWARE; SPIN LABELS;

EID: 68049099073     PISSN: 10907807     EISSN: 10960856     Source Type: Journal    
DOI: 10.1016/j.jmr.2009.05.012     Document Type: Article

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