Reaction Mechanisms

Linear Reaction Mechanisms

All topologically distinct linear mechanisms (Le., mechanisms containing one reaction intermediate on both the left-hand and right-hand sides) of chemical reactions involving up to 16 elementary steps, up to 12 intermediates, and up to 6 reaction routes were computer enumerated and generated. The methodology previously developed for classifying, coding, and analyzing the complexity of such mech...

Single-Route Reaction Mechanisms

Graph-theoretical methods for describing complex chemical reactions are reviewed and directed bipartite graphs are found to be the most convenient ones. Subgraphs of reaction intermediates are advocated as a tool for identifying and classifying reaction mechanisms. The notion of reaction intermediate is revisited, and the special class of dualistic intermediates is defined. The topological anal...

Inorganic Reaction Mechanisms

Reaction Mechanisms with Exotic Nuclei ∗

This talk examines a number of reaction mechanisms for scattering initiated by an exotic projectile. Comparisons are made with recent experimental data, in order to extract information on the peculiarity of the nuclear structure under extreme conditions and to test the accuracy of the available theoretical methods. Predictions for future experiments are also made.

Reaction mechanisms in homogeneous catalysis

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