String, ANCOD

The formal tools for the manipulations with reaction mechanisms are the so- called ANCOD strings and graphs of reaction mechanisms [22],... 

In our original definition [10 22] the ANCOD string was determined as a concatenation of four substrings 83 S3, 84. In order to simpli fy our considerations, we give here its shorter version based on three strings 83 S3. Each of them is composed of n components where n is the number of elementary reactions contained in the studied mechanism. The ith component of each string corresponds to the ith elementary reaction. 

The correspondence between the two mathematical structures is rized in Table 5.3, where the suggested conventions are in accordance with the lUPAC symbolic representation of reaction mechanisms [23]. In particular, the ANCOD strings are important as an interconnection between the lUFAC convention and our reaction graphs. 

Table 5.3 Correspondence between operators a, B, y, S and ANCOD strings (X = virtual atom)...

Summarizing the above considerations we see that the ANCOD string contains, in addition to the reaction graph, the following information ... 

The ANCOD string approach will be applied in the next part of this section for the construction of a graph model of reaction mechanisms based on the so-called graph of reaction mechanisms denoted by [22]. This graph is constructed from the corresponding reaction graphs as follows ... 

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