Near-Quantitative Agreement of Model-Free DFT-MD...

The Journal of Physical Chemistry Letters 2012 / 09 Vol. 3; Iss. 18

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

Fulton, John L., Bylaska, Eric J., Bogatko, Stuart, Balasubramanian, Mahalingam, Cauët, Emilie, Schenter, Gregory K., Weare, John H.
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Volume:
3
Language:
english
Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/jz3008497
Date:
September, 2012
File:
PDF, 2.25 MB
english, 2012
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