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Get Free AccessA series of Monte Carlo simulations has been carried out to characterize the temperature and size dependence of the results for liquid water using the TIP4P potential function. Five temperatures from -25 to 100°C and four system sizes from 64 to 512 molecules have been studied. Comparisons are made with experimental thermodynamic and structural data as well as results of prior simulations.
William L. Jorgensen, Jeffry D. Madura (1985). Temperature and size dependence for Monte Carlo simulations of TIP4P water. Molecular Physics, 56(6), pp. 1381-1392, DOI: 10.1080/00268978500103111.
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Type
Article
Year
1985
Authors
2
Datasets
0
Total Files
0
Language
English
Journal
Molecular Physics
DOI
10.1080/00268978500103111
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