J. W. Kennedy, Louis V. Quintas's Applications of Graphs in Chemistry and Physics PDF

By J. W. Kennedy, Louis V. Quintas

ISBN-10: 0444705139

ISBN-13: 9780444705136

It's been stated that glossy molecular concept is based on primarily graph-like versions situated in a few applicable embedding house. the belief should be prolonged to actual concept, and it really is this that offers the raison d'etre for this choice of papers. this present day there's nearly no department of chemistry, together with its newer family in polymer technological know-how and biology, that isn't enriched via (or enriching) the mathematical thought of graphs. The influence of graph-theoretical pondering in physics has, with a few impressive exceptions, built extra slowly. In 1847, G.R. Kirchoff based the speculation of electric networks as a graph-theoretical constitution, and therefore additionally made major contributions to the maths of graph concept. this custom has persisted into the more recent sciences akin to telecommunications, computing device technological know-how and data technology.

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R. K. C. B. , Chemical Applications of Topology and Graph Theory (Elsevier, Amsterdam, 1983). [35] O. Mekenyan, S. Dimitrov and D. Bonchev, Graph-theoretical approach to the calculation of physico-chemical properties of polymers, Eur. Polym. J. 19 (1983) 1185-1 193. L. Morgan, The generation of a unique machine description of chemical structures - a technique developed at chemical abstracts service, J. Chem. Doc. 5 (1965) 107-1 13. [37] A. Mowshowitz, Entropy and the complexity of graphs: I. an index of the relative complexity of a graph, Bull.

V. Quintas and J. Yarmish, Degree distributions for random 4-trees and skeletons of symmetry weighted (l,4)-trees, Congressus Numerantium 36 (1982) 115-125. V. Quintas and J. Yarmish, The number of chiral alkanes having given diameter and carbon auto­ morphism group a symmetric group, Second International Conference on Combinatorial Mathe­ matics (New York, NY, April 1978), Ann. Y. Acad. Sci. 319 (1979) 436-443. V. Quintas and J. Yarmish, Valence isomers for chemical trees, Match 12 (1981) 65-73.

Environmental Protection Agency Research Laboratory-Duluth is com­ piling a data base for approximately 25,000 chemicals selected from the Toxic Sub­ stance Control Act inventory of industrial chemicals. , lethal concentrations). , connectivity indices). In order to minimize the cost of evaluating the utility of topological indices as discriminators of structural similarity, we decided to investigate only a subset of compounds. Faced with making a choice of which compounds to use in these modeling studies, we decided to use compounds which had at least one measured value for boiling point, melting point, or vapor pressure.

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Applications of Graphs in Chemistry and Physics by J. W. Kennedy, Louis V. Quintas

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