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Molecular dynamics study of solvation in urea water solution

✍ Scribed by Kuharski, Robert A.; Rossky, Peter J.

Book ID
121869855
Publisher
American Chemical Society
Year
1984
Tongue
English
Weight
975 KB
Volume
106
Category
Article
ISSN
0002-7863

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The hydration of urea and tetrarnethylurea (TMU) is studied by molecular dynamics simulations. A perturbed structure of the H-bond network is shown in the hydration shell of urea around carbonyl oxygen, and an enhanced mobility of water is found in the region corresponding to the hydration of the ca