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      • Chemical graph theory is the application of discrete mathematics to chemistry applied to model physical and biological properties of chemical compounds. Various topological indices which are derived from graph theory can model the geometric structure of chemical compounds.
      www.sciencedirect.com › science › article

      Chemical applications of graph theory - ScienceDirect

  2. link.springer.com · chapter · 10Basic Chemical Graph Theory | SpringerLink

    Oct 21, 2017 · Graph Theory applied in Chemistry is called Chemical Graph Theory. This interdisciplinary science takes problems (like isomer enumeration, structure elucidation, etc.) from Chemistry and solve them by Mathematics (using tools from Graph Theory, Set Theory or...

    • Mircea Vasile Diudea
    • 2018

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  4. en.wikipedia.org · wiki · Chemical_graph_theoryChemical graph theory - Wikipedia

    Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena. [1] The pioneers of chemical graph theory are Alexandru Balaban, Ante Graovac, Iván Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić [2] (also Harry Wiener and others).

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  6. www.sciencedirect.com · science · articleChemical applications of graph theory - ScienceDirect

    Jan 1, 2019 · Chemical graph theory is the application of discrete mathematics to chemistry applied to model physical and biological properties of chemical compounds. Various topological indices which are derived from graph theory can model the geometric structure of chemical compounds.

    • Kimberly Jordan Burch
    • 2019

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  8. link.springer.com · content · pdfChapter 1 Basic Chemical Graph Theory - Springer

    Graph Theory applied in Chemistry is called Chemical Graph Theory. This inter-disciplinary science takes problems (like isomer enumeration, structure elucidation, etc.) from Chemistry and solve them by Mathematics (using tools from Graph Theory, Set Theory or Combinatorics), thus influencing both Chemistry and Math-ematics.

    • Mircea Vasile Diudea
    • 2018

  9. apps.dtic.mil · sti · trAn Introduction to the Chemical Applications of Graph Theory.

    chemists started using graphs over two centuries ago. This pioneering. work is now regarded as belonging to the early development of graph theory itself [1,21. The first use of graphs in a chemical context was made in 1769 when K4 graphs were used to depict the forces exerted on four mutually.

  10. www.mdpi.com · chemical_graph_theoryRecent Advances in Chemical Graph Theory and Their Applications

    Jan 31, 2021 · Since the seminal paper of the American chemist Harold Wiener in 1947, many numerical quantities of graphs have been introduced and extensively studied in order to describe various physicochemical properties.

  11. link.springer.com · content · pdfINTRODUCTION TO GRAPH THEORY Haruo HOSOYA Ochanomizu ...

    1. Chemical graph theory 1.1. PURPOSE AND PREMISES In this book you are invited to the world of the application of the graph theory to chemistry, especially on the problem how the topology of a molecule determines its reactivity toward a specific reaction and how the graph theory helps you understand these relationships. This introduction to

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