1H and 13C{1H} NMR spectral parameters of sulfur mustards, nitrogen mustards, and lewisites: Computing and Predicting of Reference Spectra for Chemical Identification

Magnetic Resonance in Chemistry

Volumn 50, Issue 3, 2012, Pages 196-207

  Haapaniemi, Esa ^a   Mesilaakso, Markku ^b  

^a UNIVERSITY OF OULU   (Finland)

^b FINNISH DEFENCE RESEARCH AGENCY   (Finland)

Author keywords

CW agents; Lewisites; mustards; NMR prediction; PERCH; solvent effects

Indexed keywords

CHEMICAL SHIFT; FORECASTING; NITROGEN; SULFUR; SULFUR COMPOUNDS;

CW AGENT; LEWISITE; MUSTARD; NITROGEN MUSTARDS; NMR PREDICTION; PERCH; SHIFT-AND; SOLVENT EFFECTS; SPECTRAL PARAMETERS; SULPHUR MUSTARD;

SOLVENTS;

CARBON; LEWISITE; NITROGEN; ORGANOARSENIC DERIVATIVE; PROTON; SULFUR;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; MUSTARD; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; STANDARD;

ALGORITHMS; ARSENICALS; CARBON ISOTOPES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; MUSTARD PLANT; NITROGEN; PROTONS; REFERENCE STANDARDS; SULFUR;

EID: 84859436014     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2867     Document Type: Article

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