Publication - Journal Article Near-Quantitative Agreement of Model-Free DFT-MD Predictions with XAFS Observations of the Hydration Structure of Highly Charged Transition-Metal Ions

https://doi.org/10.1021/jz3008497
Journal Article
The Journal of Physical Chemistry Letters, vol. 3, iss. 18, pp. 2588-2593, 2012
Authors
John L. Fulton, Eric J. Bylaska, Stuart Bogatko, Mahalingam Balasubramanian, Emilie Cauët, Gregory K. Schenter, John H. Weare
English