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Molecules -- Models -- Computer Simulation
The following sources are recommended by a professor whose research specialty is the computer simulation of molecules.

Six Superlative Sources

· M.H. Kalos and P.A. Whitlock, "Monte Carlo Methods, Volume I: Basics," John Wiley, 1986).

· M.P. Allen and D.J. Tildesley, "Computer Simulation of Liquids," 2nd. ed., Oxford Science Pub., (1989).

· "Monte Carlo Methods in Chemical Physics," Advances in Chemical Physics, Vol. 105, D. Ferguson, I. Siepmann and D.G. Truhlar (eds.), John Wiley and Sons, (1999).

· N. Metropolis, A. Rosenbluth, M. Rosenbluth, A. Teller and E. Teller, J. Chem. Phys. 21, p. 1087 (1953).

· J.P. Valleau and S.G. Whittington, in "Statistical Mechanics, Part A: Equilibrium Techniques," B.J. Berne (ed.), Plenum, pp. 137-168 (1977); J.P. Valleau and G.M. Torrie, ibid., pp. 169-191.

· The Molecular Monte Carlo Home Page http://www.cooper.edu/engineering/chemechem/monte.html

Other Excellent Sources

· J.M. Hammersley and D.C. Handscomb, "Monte Carlo Methods," Methuen, (1965).

· J.A. Barker and R.O. Watts, Chem. Phys. Lett. 3, p. 144 (1969).

· D.G. Truhlar and J.T. Muckerman, in "Atom-Molecule Collision Theory," R.B. Bernstein (ed.), Plenum, pp. 505-566 (1979).

· K. Binder, in "Monte Carlo Methods in Statistical Physics," K. Binder (ed.), Springer-Verlag, pp. 1-36 (1979).

· K. Binder and D. Stauffer, in "Applications of the Monte Carlo Method in Statistical Physics," K. Binder (ed.), Springer-Verlag, pp. 1-45 (1987).

· J.D. Doll and D.L. Freeman, Adv. Chem. Phys. 70B, p. 139 (1988); J.D. Doll, D.L. Freeman and T.L. Beck, Adv. Chem. Phys. 78, p. 61 (1990).

· D. Frenkel and B. Smit, "Understanding Molecular Simulation: From Algorithms to Applications," Academic Press, (1996).

· A.R. Leach, "Molecular Modelling: Principles and Applications," Longman, (1996).

· A.K. Rappe and C.J. Casewit, "Molecular Mechanics Across Chemistry," University Science Books, (1997).

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