Directed reaction graphs as posets Academic Article

abstract

• Reaction diagrams are considered especially for the circumstance of progressive substitution (or addition) on a fixed molecular skeleton, and it is noted that these naturally form Hasse diagrams for a partially ordered set (or poset) of the substituted structures. Ultimately several examples of such posetic reaction graphs are presented, but as a first prototypical illustration the case of progressive chlorination of the hexagonal benzene skeleton is described, and some ideas are mentioned for the utilization of the reaction diagram's posetic nature.

authors

• Klein, Douglas

published proceedings

• MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY

author list (cited authors)

• Klein, D. J., & Bytautas, L.

complete list of authors

• Klein, DJ||Bytautas, L

publication date

• December 2000

published in

• Match: Communications in Mathematical and in Computer Chemistry  Journal

start page

• 261

end page

• 290

volume

• 42

issue

• 42