An Improved Theoretical Sodium Cation Affinity Scale?
We have used two novel "model chemistry" composite computational techniques, CPd-G2thaw and c-SLW3, to determine a sodium cation affinity (SCA) scale comprising 38 small ligands. The CPd-G2thaw and c-SLW3 methods have been developed to yield accurate thermochemical parameters for sodium-containing compounds by redressing shortcomings of existing computational techniques for such compounds. The SCA scale established here shows excellent internal consistency between CPd-G2thaw and c-SLW3 values....[Show more]
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|Source:||Journal of Physical Chemistry A|
|01_Petrie_An_Improved_Theoretical_Sodium_2001.pdf||63.83 kB||Adobe PDF||Request a copy|
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