原创力文档QM Chemical Shift Calculations to Infer on the Long-Range Aromatic Ring Current-Induced Field Contributions.pdfVIP
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QM Chemical Shift Calculations to Infer on the Long-Range Aromatic Ring Current-Induced Field Contributions.pdf
JournalofMaterialsScienceandEngineeringA5(5-6)(2015)181·196
doi：10．17265／2161-6213／2015．5．6．001
QM ChemicaIShiftCalculationstoInferonthe
Long-RangeAromaticRingCurrent·InducedField
Contributions
SankarampadiAravamudhan
DepartmentofChemistry,NorthEasternHillUniversity，Shillong793022，India
Abstract：ThequantumchemicalPMR(Protonmagneticresonnace)chemicalshiftcalculation，inherently，hastheinformationonthe
inducde fieldvaluesnotonlywihtinhtemolecularsystem，butalsoinhteneighborhoodofhtemolecule，totheextent，whichis
significant．W itllinhtemoleculehtelocationsoftheprotonsarespecifiedbyhtewayofht
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