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The effects of intramolecular and intermolecular coordination on (31)P nuclear shielding: phosphorylated azoles

Kirill A Chernyshev1, Ludmila I Larina, Elena A Chirkina

  • 1A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 Favorsky Str, 664033, Irkutsk, Russia.

Magnetic Resonance in Chemistry : MRC
|February 15, 2012
PubMed

Keywords:
31P NMR31P shielding constantsDFTGIAOPCMZORAcoordination effectspyrazolesrelativistic correctionsspin-orbit interaction

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