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On the absence of sample size effects in the computation of cross-correlation functions in liquid water

โœ Scribed by M.W. Evans; G.C. Lie; E. Clementi


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
421 KB
Volume
40
Category
Article
ISSN
0167-7322

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Effects of the cutoff center on the mean
โœ Razif R. Gabdoulline; Chong Zheng ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 455 KB ๐Ÿ‘ 1 views

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