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Investigation of the uniqueness of the reverse Monte Carlo method: Studies on liquid water

✍ Scribed by Jedlovszky, P.; Bakó, I.; Pálinkás, G.; Radnai, T.; Soper, A. K.


Book ID
118174541
Publisher
American Institute of Physics
Year
1996
Tongue
English
Weight
398 KB
Volume
105
Category
Article
ISSN
0021-9606

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A reverse Monte Carlo simulation of liquid water at room temperature is made by fitting the partial pair correlation functions of our model system to those obtained from neutron scattering experiments. The atoms in a molecule are held together by non-rigid bonds under geometric constraints. In order