da Silva, FLBOlivares-Rivas, W.Degreve, L.Akesson, T.2014-05-202014-05-202001-01-08Journal of Chemical Physics. Melville: Amer Inst Physics, v. 114, n. 2, p. 907-914, 2001.0021-9606http://hdl.handle.net/11449/38443Using a new reverse Monte Carlo algorithm, we present simulations that reproduce very well several structural and thermodynamic properties of liquid water. Both Monte Carlo, molecular dynamics simulations and experimental radial distribution functions used as input are accurately reproduced using a small number of molecules and no external constraints. Ad hoc energy and hydrogen bond analysis show the physical consistency and limitations of the generated RMC configurations. (C) 2001 American Institute of Physics.907-914engArtigo10.1063/1.1321766WOS:000166213000030Acesso abertoWOS000166213000030.pdf