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Calculating Geochemical Reaction Pathways - Exploration of the Inner-Sphere Water Exchange Mechanism in Al(H 2 O) 63+ (aq) + n H 2 O with ab Initio Calculations and Molecular Dynamics
Evans, R. James, Rustad, James R., Casey, William H.Volume:
112
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp7116888
Date:
May, 2008
File:
PDF, 862 KB
english, 2008