Read full paper at: http://www.scirp.org/journal/PaperInformation.aspx?PaperID=52683#.VKC_7cCAM4 Author(s) Alexandre Borges , João M. M. Cordeiro Affiliation(s) Department of Physics and Chemistry, São Paulo State University, Ilha Solteira, Brazil . ABSTRACT The structure of pure liquid tetrahydrofuran (THF) has been investigated via Monte Carlo simulations in the wake of a previous Empirical Potential Structure Refinement (EPSR) study on that liquid (Bowron, D.T.; Finney, J.L.; Soper, A.K. (2006) J. Am. Chem. Soc., 128, 5119). The molecules are allatoms rigid structures and the intermolecular potential used is described for the classical 6-12 Lennard-Jones plus Coulomb in the NPT en...
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