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Molecular Dynamics Simulation of Solvation Dynamics in Methanol−Water Mixtures

✍ Scribed by Skaf, Munir S.; Ladanyi, Branka M.


Book ID
120040772
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
437 KB
Volume
100
Category
Article
ISSN
0022-3654

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Structure of methanol-methanol associate
✍ S.Y. Noskov; M.G. Kiselev; A.M. Kolker; B.M. Rode 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 510 KB

Molecular dynamics simulations have been performed for 8 methanol-water solutions using rigid and flexible potential models. The heat capacity, the radial distribution fbnctions and potential mean force obtained by MD simulations were compared to previous simuhuions and experimental results. Special