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The molecular correlation function in liquid nitrogen and oxygen: evaluation of effective pair potential

✍ Scribed by Rao, R V Gopala; Joarder, R N

Book ID
125846327
Publisher
Institute of Physics
Year
1979
Tongue
English
Weight
403 KB
Volume
12
Category
Article
ISSN
0022-3719

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Molecular dynamics simulations of extended simple point charge (SPC/E) water have been performed to study the effects of the truncation of long-range interactions on some calculated bulk properties of the liquid. The mean potential calculated in liquid water is sensitive to the choice of the cutoff