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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… Expand
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19 relations
Alexandru BalabanAnte GraovacCaterpillar treeCheminformatics
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Broader (1)

Mathematical chemistry

Papers overview

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2016
2016
Molecular Orbital Calculations Using Chemical Graph Theory
molecular orbital calculations using chemical graph theory is available in our digital library an online access to it is set as… Expand
Highly Cited
2013
Highly Cited
2013
Chemical Graph Theory
This chapter on chemical graph theory forms part of the natural science and processes section of the handbook 
Highly Cited
2010
Highly Cited
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… Expand
2007
2007
Energies of some Non-regular Graphs
The energy of a graph G is the sum of the absolute values of its eigenvalues. In this paper, we study the energies of some… Expand
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2005
2005
On some applications of information indices in chemical graph theory
Abstract Information theory has been used in various branches of science. During recent years it is applied extensively in… Expand
2004
2004
Qspr Modeling of the Octanol/Water Partition Coefficient of Alcohols by Means of Optimization of Correlation Weights of Local Graph Invariants
A particular approach based on the concept of flexible topological descriptors,the so called “Optimization of Correlation Weights… Expand
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Highly Cited
2003
Highly Cited
2003
Handbook of graph theory
  • J. Gross
  • Discrete mathematics and its applications
  • 2003
    • Corpus ID: 34005336
Introduction to Graphs Fundamentals of Graph Theory, Jonathan L. Gross and Jay Yellen Families of Graphs and Digraphs, Lowell W… Expand
Highly Cited
2003
Highly Cited
2003
Total and Local Quadratic Indices of the Molecular Pseudograph’s Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds
A novel topological approach for obtaining a family of new molecular descriptors is proposed. In this connection, a vector space… Expand
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2001
2001
TORANES VERSUS TORENES
Construction of polyhex and other tiled tori starting from square-like tori is presented. Leapfrog transformation of both linear… Expand
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Highly Cited
1997
Highly Cited
1997
The Wiener Index and the Szeged Index of Benzenoid Systems in Linear Time
A linear time algorithm is presented which, for a given benzenoid system G, computes the Wiener index of G. The algorithm is… Expand
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