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Reaction Mechanisms in the OO Chemistry

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4 Author(s)

The work presented in this paper continues the work presented in the previous Alife (Bersini, 1999) conference by improving the Connections between the computerized object-oriented chemistry and the real natural chemistry. This improvement is the result of a clearer definition of the type of computational structure which codes for a molecule, of the different reaction mechanisms between two molecules to obtain one or several new ones, and of the way the dynamics (i.e. the molecular concentration change in time) and the metadynamics (i.e. the appearance of new molecules) simultaneously make the whole chemical system to evolve in time. What makes a molecule computationally unique. in terms of a strictly ordered tree, will be deeply described. Simulation results are presented for a simple chemical reactor composed of four atoms with different valence, and allowing molecules to deterministically or randomly interact according to two mechanisms: the chemical single-link-crossover and the open-bond reaction. Flow the chemical kinetics is called into play will be shown for very elementary reactions