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- Basic Chemical Graph Theory!
- Graph theory in chemistry.
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Completely Revised and Updated Chemical Graph Theory, 2nd Edition is a completely revised and updated edition of a highly regarded book that has been widely used since its publication in This unique book offers a basic introduction to the handling of molecular graphs - mathematical diagrams representing molecular structures. Using mathematics well within New Edition!

An extensive bibliography covering the most relevant advances in theory and applications is one of the book's most valuable features. This volume is intended to introduce the entire chemistry community to the applications of graph theory and will be of particular interest to theoretical organic and inorganic chemists, physical scientists, computational chemists, and those already involved in mathematical chemistry.

Get A Copy. Recently, I have been self-teaching graph theory and having an organic chemistry course at school.

### Application-specific graphs

When I was learning isomer enumeration I found great resemblance between organic molecules and graphs. On the whole they just constitute a loopless yet usually not simple graph! While I am excited about this idea, I am unclear about how to apply graph theory and some combinatorial techniques to chemistry. Am I correct? Are there really applications of combinatorics or graph theory to organic chemistry, particularly isomer enumeration? If so how? Are there any books or resources from where I can learn about this amazing idea?

## Chemical Graph Theory: Reactivity and Kinetics - Google книги

Yes there are quite a lot actually, see for example Trinajstic's book Chemical Graph Theory. Actually most if not all applications in that book seem to be exclusively for organic chemistry, so you have quite a lot to choose from. Sign up to join this community. The best answers are voted up and rise to the top. This volume presents the fundamentals of graph theory and then goes on to discuss specific chemical applications.

## Chemical Graph Theory

Chapter 1 provides a historical setting for the current upsurge of interest in chemical graph theory. This is followed by a discussion on chemical nomenclature and the trends in its rationalization by using graph theory, which has important implications for the storage and retrieval of chemical information. This volume also contains a detailed discussion of the relevance of graph-theoretical polynomials; it describes methodologies for the enumeration of isomers, incorporating the classical Polya method, as well as more recent approaches.

References and Notes 4.