On the Relationship between Mo K-Edge Energies and DFT Computed Partial Charges

Liwei Li, Michael R. Morrill, Heng Shou, David G. Barton, Daniela Ferrari, Robert J. Davis, Pradeep K. Agrawal, Christopher W. Jones and David S. Sholl

The Journal of Physical Chemistry C

DOI: 10.1021/jp309078a

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