A recently published paper [T. Došlić, this journal 3 (2012) 25-34] considers the Zagreb indices of benzenoid systems, and points out their low discriminativity. We show that analogous results hold for a variety of vertex-degree-based molecular structure descriptors that are being studied in contemporary mathematical chemistry. We also show that these results are straightforwardly obtained by u...

a recently published paper [t. došlić, this journal 3 (2012) 25-34] considers the zagrebindices of benzenoid systems, and points out their low discriminativity. we show thatanalogous results hold for a variety of vertex-degree-based molecular structure descriptorsthat are being studied in contemporary mathematical chemistry. we also show that theseresults are straightforwardly obtained by using...

N umerous researchers have crossed the boundary between mathematics and physics, and the resulting interaction has benefited both disciplines. In contrast, there has been relatively little interaction between mathematicians and chemists. There are many reasons for this. Historically, the typical chemist has not been interested in problems that have led to tractable mathematical questions. Chemi...

I was born in Zagreb (Croatia) on October 26, 1936. My parents were Regina (née Pavić) (April17, 1916, Zagreb–March 9, 1992, Zagreb) and Cvjetko Trinajstić (September 9, 1913, Volosko–October 29, 1998, Richmond, Australia).

A general mathematical description, mostly in terms of graph theory, is given for reactions of organic chemistry. The corresponding computer program generates all products that can result from a given set of starting materials interacting according to a given set of reaction schemes. Example reactions from combinatorial chemistry, synthetic organic chemistry, and mass spectroscopic structure el...

Mathematical chemistry has been formally recognized only during just the last few decades, with a strong influence involving graph theoretic work. This special influence is perhaps quite appropriate in view of its relevance in the classical core of chemistry, the characterization of molecular structure, and valence theory. Indeed the mathematical field of graph theory may be surmised to take it...

Thesis submitted for the part of the degree of MSc in Mathematical Biology and Biophysical Chemistry.