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A hybrid neutron diffraction and computer simulation study on the solvation of N-methylformamide in dimethylsulfoxide

✍ Scribed by Cordeiro, João M. M.; Soper, Alan K.

Book ID
118745266
Publisher
American Institute of Physics
Year
2013
Tongue
English
Weight
867 KB
Volume
138
Category
Article
ISSN
0021-9606

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On the solvation shell of Na+ and Cl− io
On the solvation shell of Na+ and Cl− ions in acetonitrile: A computer simulation study
✍ E. Guàrdia; R. Pinzón 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 479 KB

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 densitie