Carlo Simulations for Polymers

Af/ads is the heat of adsorption from the gas phase, which takes into account the dispersion interaction of hexene with the oxygen atoms in the wall of the zeolite pores. This energy depends both on the size of the reactant (hexene in this case) and the size o .the pores in the zeolite (Figure 8a and 8b) and is estimated with the configurational-bias Monte Carlo method (CB-MC). - The CB-MC method differs from conventional Monte Carlo (see Monte Carlo Simulations for Polymers) in so far as.ti guest species is grown atom by atom inside the host rather than inserted as a complete molecule. ... 

Structure Monte Carlo Simulations for Complex Fluids and Monte Carlo Simulations for Polymers. 

Intermolecular Interactions by Perturbation Theory Molecular Dynamics and Hybrid Monte Carlo in Systems with Multiple Time Scales and Long-range Forces Reference System Propagator Algorithms Molecular Dynamics Simulations of Nucleic Acids Molecular Dynamics Studies of Lipid Bilayers Molecular Dynamics Techniques and Applications to Proteins Monte Carlo Simulations for Liquid Monte Carlo Simulations for Polymers. 

Aqueous Interfaces Force Fields A Brief Introduction Force Fields A General Discussion Free Energy Changes in Solution Free Energy Simulations Intermolecular Interactions by Perturbation Theory Monte Carlo Simulations for Complex Fluids Monte Carlo Simulations for Polymers OPLS Force Fields Supercritical Water and Aqueous Solutions Molecular Simulation. 

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