Article | REF: J1013 V1

Molecular modeling

Author: Hervé TOULHOAT

Publication date: June 10, 2007, Review date: March 1, 2015 | Lire en français

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    5. NMR spectroscopy

    The "chemical shifts" of nuclear magnetic resonance lines in insulating materials have their origin in the local magnetic fields induced in the electron cores of nuclei by the applied magnetic field. The screening tensor σ (r ) relates the first-order term of the locally induced field Bind 1 to the applied external magnetic field B : Bind 1(r)=σ(r)

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    NMR spectroscopy