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Graph Theory Applied to Plasma Chemical Reaction Engineering [PDF]
Plasma Chemistry and Plasma Processing, 2021 AbstractThis work explores the following applications of graph theory to plasma chemical reaction engineering: assembly of a weighted directional graph with the key addition of reaction nodes, from a published set of reaction data for air; graph visualisation for probing the reaction network for potentially useful or problematic reaction pathways ...
William B Zimmerman +1 more
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Random Walks and Chemical Graph Theory
Journal of Chemical Information and Computer Sciences, 2004Simple random walks probabilistically grown step by step on a graph are distinguished from walk enumerations and associated equipoise random walks. Substructure characteristics and graph invariants correspondingly defined for the two types of random walks are then also distinct, though there often are analogous relations.
Douglas J. Klein +3 more
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Some New Trends in Chemical Graph Theory
Chemical Reviews, 2008Jorge Galvez +2 more
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On some applications of information indices in chemical graph theory
Electronic Notes in Discrete Mathematics, 2005 Abstract Information theory has been used in various branches of science. During recent years it is applied extensively in chemical graph theory for describing chemical structures and for providing good correlations between physico–chemical and structural properties by means of information indices.
Elena V. Konstantinova
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Wiley Interdisciplinary Reviews: Computational Molecular Science
AbstractGraph theory has a long history in chemistry. Yet as the breadth and variety of chemical data is rapidly changing, so too do graph encoding methods and analyses that yield qualitative and quantitative insights. Using illustrative cases within a basic mathematical framework, we showcase modern chemical graph theory's utility in Chemists ...
Aurora E Clark +2 more
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AbstractGraph theory has a long history in chemistry. Yet as the breadth and variety of chemical data is rapidly changing, so too do graph encoding methods and analyses that yield qualitative and quantitative insights. Using illustrative cases within a basic mathematical framework, we showcase modern chemical graph theory's utility in Chemists ...
Aurora E Clark +2 more
exaly +2 more sources
2013
This chapter on chemical graph theory forms part of the natural science and processes section of the ...
Estrada, Ernesto, Bonchev, Danail
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This chapter on chemical graph theory forms part of the natural science and processes section of the ...
Estrada, Ernesto, Bonchev, Danail
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Chemical Graph Theory of Fibonacenes
ChemInform, 2007AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Ivan Gutman, Sandi Klavzar
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International Journal of Quantum Chemistry, 1994
AbstractChemical signed graph theory is presented. Each topological orbital of an N‐vertex molecular graph is represented by a vertex‐signed graph (VSG) that is generated by assigning a sign, either plus or minus, to the vertices without solving the secular matrix equation.
Shyi‐Long Lee, Chiuping Li
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AbstractChemical signed graph theory is presented. Each topological orbital of an N‐vertex molecular graph is represented by a vertex‐signed graph (VSG) that is generated by assigning a sign, either plus or minus, to the vertices without solving the secular matrix equation.
Shyi‐Long Lee, Chiuping Li
openaire +1 more source