Benkö, Gil, Christoph Flamm, and Peter F. Stadler. “Explicit collision simulation of chemical reactions in a graph based artificial chemistry.” In European Conference on Artificial Life , pp. 725-733. Springer, Berlin, Heidelberg, 2005.
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A Toy Model of an artificial chemistry that treats molecules as graphs was implemented based on a simple Extended Hückel Theory method. Here we describe an extension of the model that models chemical reactions as the result of “collisions”. In order to avoid a possible bias arising from prescribed generic reaction mechanisms, the reactions are simulated in a way that treats the formation and breakage of individual chemical bonds as elementary operations.