Weighted ternary trees as data structures for dendritic molecules. (c2001)

Abstract

This thesis describes the construction of dendritic molecules using weighted ternary trees where each node is a record that represents the different physical, chemical, and quantum mechanical constants of a given atom and each weighted edge represents the number of bonds that exist between two adjacent atoms. This approach for representing such molecules offers flexibility as to reconfiguring the tree structure in case of addition of a new level or creation of a new generation in the dendrimer.