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The effect of weak intermolecular interactions on the nuclear magnetic resonance shielding constant in N2.

Michał HapkaMichał Jaszuński
Published in: Magnetic resonance in chemistry : MRC (2019)
Ab initio calculations are applied to examine the influence of the intermolecular interactions on the shielding constant in gaseous nitrogen. An accurate literature potential energy surface and the nuclear magnetic resonance shielding surface of the N2 -N2 complex calculated in this work provide results in satisfactory agreement with the available experimental estimates of the effect.
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