Abstract
Beyond static molecules: The effect of zero-point motion on NMR parameters of transition-metal complexes (for example, see graphic), as assessed by a perturbational approach, can be sizeable; for example, for the metal nucleus in iron pentacarbonyl, a deshielding of about 100 ppm relative to the equilibrium geometry is predicted.
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Schedule a callMore From: Chemphyschem : a European journal of chemical physics and physical chemistry
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