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Wall−Water Interface. A Molecular Dynamics Study†

✍ Scribed by Grigera, J. Raul; Kalko, Susana G.; Fischbarg, Jorge


Book ID
111953314
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
270 KB
Volume
12
Category
Article
ISSN
0743-7463

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✍ R. Sonnenschein; K. Heinzinger 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 447 KB

An MD simulJtlon of 216 ST? water n~oIccules between 12-6 Lennard-Jones \wlls has been performed which extend OI:Y 20 ps at an ;~\er+x temperature of 287 I;. The oxygen atom density profile is reported and the influence of the walls on the orientation of the ester molecules and on the sclfdiffusion