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A Monte Carlo simulation of liquid water was carried out in order to study the influence of an external magnetic field on the internal energy and heat capacity of pure water. Analysis of the structure of water was made by calculating the radial distribution function of water molecules. A multipeak function of the magnetic effect versus magnetic flux density was found. A significant change in the internal energy and heat capacity occurred at a magnetic flux density of about 0.2 T. In particular, when the magnetic flux density increases, the second peak of the water–water radial distribution function increases markedly. This has been demonstrated by calculations for both 64- and 125-molecule systems. © 2000 American Institute of Physics.