Molecular-dynamics study of self-diffusion in Na: Validity of transition-state theory

1997 ◽  
Vol 56 (13) ◽  
pp. 7771-7774 ◽  
Author(s):  
V. Schott ◽  
M. Fähnle ◽  
A. Seeger
Keyword(s):  
Molecular Dynamics ◽  
Transition State ◽  
Transition State Theory ◽  
State Theory ◽  
Self Diffusion

scholarly journals Ion hydration: linking self-diffusion and reorientational motion to water structure

2018 ◽  
Vol 20 (8) ◽  
pp. 5909-5917 ◽  
Author(s):  
Seishi Shimizu ◽  
Nobuyuki Matubayasi
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
Water Structure ◽  
State Theory ◽  
Water Dynamics ◽  
Ion Hydration ◽  
Reorientational Motion ◽  
Self Diffusion ◽  
Jump Model ◽  
Model Transition

A link between water dynamics and the “water structure” has been established through the combination of the extended jump model, transition state theory and the Kirkwood-Buff theory.

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