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Publications by authors named "Bob Martin"

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Kohn-Sham calculations of NMR shifts for paramagnetic 3d metal complexes: protocols, delocalization error, and the curious amide proton shifts of a high-spin iron(ii) macrocycle complex.
Bob Martin, Jochen Autschbach

Phys Chem Chem Phys· August 2016


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Erratum: "Temperature dependence of contact and dipolar NMR chemical shifts in paramagnetic molecules" [J. Chem. Phys. 142, 054108 (2015)].
Bob Martin, Jochen Autschbach

J Chem Phys· July 2016


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Crystal structure of the co-crystal of 5-amino-isophthalic acid and 1,2-bis(pyridin-4-yl)ethene.
Scott C McGuire, Steven C Travis, Daniel W Tuohey, Thomas J Deering, Bob Martin

Acta Crystallogr E Crystallogr Commun· May 2016


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Temperature dependence of contact and dipolar NMR chemical shifts in paramagnetic molecules.
Bob Martin, Jochen Autschbach

J Chem Phys· February 2015


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