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On the solvation shell of Na+ and Cl− ions in acetonitrile: A computer simulation study

✍ Scribed by E. Guàrdia; R. Pinzón

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
479 KB
Volume
85
Category
Article
ISSN
0167-7322

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✦ Synopsis

A series of molecular dynamics simulations have been performed to study the solvation shell of Na + and C1-ions in acetonitrile. Both structural and dynamic properties including reorientational and residence times, velocity autocorrelation functions, self-diffusion coefficients and spectral densities have been analysed. The present results are compared with those obtained in earlier studies of single ions in water and methanol.

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