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Chemical graph theory

Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena.The… (More)
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Topic mentions per year

1995-2018
024619952018

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19 relations
Alexandru BalabanAnte GraovacCaterpillar treeCheminformatics
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Broader (1)

Mathematical chemistry

Related mentions per year

Related mentions per year

1936-2018
19401960198020002020
Chemical graph theory
Theory
Graph theory
Cheminformatics
Graph property
Topological index

Papers overview

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2017
2017
Structure vs. Properties Using Chemical Graph Theory
  • Jack N. Averitt, Tabitha N. Williford, Hua Wang
  • 2017
Chemical graph theory began as a way for mathematicians to bring together the areas of the Physical Sciences and Mathematics… (More)
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2015
2015
Upper bounds on the k-forcing number of a graph
Given a simple undirected graph G and a positive integer k, the k-forcing number of G, denoted Fk(G), is the minimum number of… (More)
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Review
2013
Review
2013
Chemical Graph Theory and the Sherlock Holmes Principle
The development of chemical applications of graph theory is reviewed from a personal perspective. Graph-theoretical methods for… (More)
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2010
2010
The Zagreb coindices of graph operations
Recently introduced Zagreb coindices are a generalization of classical Zagreb indices of chemical graph theory. We explore here… (More)
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Review
2008
Review
2008
A Bird’s Eye View of the Cut Method and a Survey of Its Applications in Chemical Graph Theory
  • Sandi Klavžara
  • 2008
A general description of the cut method is presented and an overview of its applications in chemical graph theory is given… (More)
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2007
2007
Chemical graph theory and n-center electron delocalization indices: A study on polycyclic aromatic hydrocarbons
Relations between aromaticity indices derived from chemical graph theory and those based on 6-center electron delocalization are… (More)
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Review
2005
Review
2005
Chemical Graph Theory of Fibonacenes
Fibonacenes (zig-zag unbranched catacondensed benzenoid hydrocarbons) are a class of polycyclic conjugated systems whose… (More)
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2005
2005
On Some Applications of Information Indices in Chemical Graph Theory
Information theory has been used in various branches of science. During recent years it is applied extensively in chemical graph… (More)
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2004
2004
Random Walks and Chemical Graph Theory
Simple random walks probabilistically grown step by step on a graph are distinguished from walk enumerations and associated… (More)
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2003
2003
Application of Chemical Graph Theory for Automated Mechanism Generation
We present an application of the chemical graph theory approach for generating elementary reactions of complex systems. Molecular… (More)
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