[PDF] Topology in Chemistry: Discrete Mathematics of Molecules D.H. Rouvray, R.B. King, Dennis H. Rouvray, R. Bruce King

This volume addresses a number of topological themes of direct relevance to chemists. Topological concepts are now regularly applied in wide areas of chemistry, including molecular engineering and design, chemical toxicology, the study of molecular shape, crystal and surface structures, chemical bonding, macromolecular species such as polymers and DNA, and environmental chemistry. Currently, the design and synthesis of new drugs and agrochemicals are of especial importance. Our prime focus here is on the role played by topological indices in the description and characterisation of molecular species. The first such characterization of a molecular structure was achieved some 55 years ago when pioneering work by Harry Wiener introduced the now famous Wiener index. This index, along with a variety of other major topological indices, are discussed herein. In particular, the powerful and much used connectivity indices are explored in depth. In this book an international team of leading experts not only review their respective fields but also present their latest findings. The considerable benefits offered by topological indices in the investigation of chemical problems in science, medicine, and industry are highlighted. The volume records proceedings of the Harry Wiener Memorial Conference on the Role of Topology in Chemistry, held at the University of Georgia in March 2001, and serves as a fitting tribute to the chemical contributions of the late Harry Wiener.