Chemical topology : introduction and fundamentals

書誌事項

Chemical topology : introduction and fundamentals

edited by Danail Bonchev and Dennis H. Rouvray

(Mathematical chemistry, v. 5)

Gordon and Breach Science Pub., c1999

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注記

Includes bibliographical references and index

内容説明・目次

内容説明

Topology is becoming increasingly important in chemistry because of its rapidly growing number of applications. Here, its many uses are reviewed and the authors anticipate what future developments might bring. This work shows how significant new insights can be gained by representing molecular species as topological structures known as topographs. The text explores carbon structures, establishing how the stability of fullerene species can be accounted for and also predicting which fullerenes will be most stable. It is pointed out that molecular topology, rather than molecular geometry, characterizes molecular shape and various tools for shape characterization are described. Several of the fascinating ideas that arise from regarding topology as a unifying principle in chemical bonding theory are discussed, and in particular, the novel concept of the molecular topoid is shown to have numerous uses. The topological description of polymers is examined and the reader is gently guided through the realms of branched and tangled polymers. Overall, this work outlines the fact that topology is not only a theoretical discipline but also one that has practical applications and high relevance to the whole domain of chemistry.

目次

1. Topology in Chemistry 2. Topographs, Embeddings and Molecular Structure 3. Topological Aspects of Carbon Allotrope Structures 4. Intuitive Chemical Topology Concepts 5. Topology of Polymers: Entangled Dynamics and Melt Flow 6. New Developments in Three-Dimensional Molecular Topology

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