Discrete mathematics for combinatorial chemistry

Abstract

The aim is a description of discrete mathematics used in a project 1 devoted to the implementation of a software package for the simulation of combinatorial chemistry. A. Hage-dorn contributes to this \crossing the interface" by making helpful remarks on applications of quantum mechanical resonances, which play an important role in chemical reactions. The report of the National Academy is very useful, since it brings a very important eld of applications of all kinds of mathematics into focus, listing