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NMR chemical shift and J coupling parameterization and quantum mechanical reference spectrum simulation for selected

Harri Koskela1, Boban Anđelković2

  • 1VERIFIN, Department of Chemistry, University of Helsinki, P.O. Box 55, FIN-00014, Helsinki, Finland.

Magnetic Resonance in Chemistry : MRC
|April 30, 2017
PubMed

Keywords:
Chemical Weapons ConventionHenderson-HasselbalchJ coupling constantschemical shiftsnerve agent degradation productspH dependencepredictionquantum mechanical spectrum simulationtemperature dependenceverification analysis

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