Instantaneous normal mode prediction for cation and anion diffusion in ionic melts

Ribeiro, M.C.C.; Madden, P.A.
May 1997
Journal of Chemical Physics;5/22/1997, Vol. 106 Issue 20, p8616
Academic Journal
Focuses on instantaneous normal mode (INM) analysis undertaken for several ionic melts. Sodium chloride at six distinct thermodynamic states; Ratio between the diffusion constants for cations and anions; Prediction from the average frequency of the real and imaginary frequency modes of the projection of the total density of states on cations and anions.


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