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Graph theory and topology in chemistry : a collection of papers presented at an international conference held at the University of Georgia, Athens, Georgia, U.S.A., 16-20 March 1987

Author: R Bruce King; D H Rouvray
Publisher: Amsterdam ; New York : Elsevier ; New York, NY, U.S.A. : Distributors for the U.S. and Canada, Elsevier Science Pub. Co., 1987.
Series: Studies in physical and theoretical chemistry, v. 51.
Edition/Format:   Print book : Conference publication : EnglishView all editions and formats
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Genre/Form: Conference papers and proceedings
Congresses
Additional Physical Format: Online version:
Graph theory and topology in chemistry.
Amsterdam ; New York : Elsevier ; New York, NY, U.S.A. : Distributors for the U.S. and Canada, Elsevier Science Pub. Co., 1987
(OCoLC)624501147
Material Type: Conference publication
Document Type: Book
All Authors / Contributors: R Bruce King; D H Rouvray
ISBN: 0444428828 9780444428820
OCLC Number: 16716265
Description: xv, 575 pages : illustrations ; 25 cm.
Contents: Section A: Knot Theory and Reaction Topology. Knots, macromolecules and chemical dynamics (D.W. Summers). Topological stereochemistry: knot theory of molecular graphs (D.M. Walba). A topological approach to the stereochemistry of nonrigid molecules (J. Simon). Chirality of non-standardly embedded mobius ladders (E. Flapan). Extrinsic topological chirality indices of molecular graphs (D.P. Jonish, K.C. Millett). New developments in reaction topology (P.G. Mezey). An outline for a covariant theory of conservative kinetic forces (L. Peusner). Topological contributions to the chemistry of living systems (D.C. Mikulecky). Section B: Molecular Complexity, System Similarity, and Topological Indices. On the topological complexity of chemical systems (D. Bonchev, O.E. Polansky). Numerical modelling of chemical structures: local graph invariants and topological indices (A.T. Balaban). The fractal nature of alkane physicochemical behavior (D.H. Rouvray). The correlation between physical properties and topological indices of N-alkanes (N. Adler, L. Kovacic-Beck). The use of topological indices to estimate the melting points of organic molecules (M.P. Hanson, D.H. Rouvray). Some relationships between the Wiener number and the number of self-returning walks in chemical graphs (D. Bonchev et al.). Unique mathematical features of the substructure metric approach to quantitative molecular similarity analysis (M. Johnson et al.). A subgraph isomorphism theorem for molecular graphs (V. Nicholson et al.). A topological approach to molecular-similarity analysis and its application (C.-C. Tsai et al.). Section C: Polyhedra, Clusters and the Solid State. Permutational description of the dynamics of octacoordinate polyhedra (J. Brocas). Symmetry properties of chemical graphs X. Rearrangement of axially distorted octahedra (M. Randic et al.). Graphs for chemical reaction networks: applications to the isomerizations among the carboranes (B.M. Gimarc, J.J. Ott). Topology and the structures of molecules and solids (J.K. Burdett). Topological aspects of infinite metal clusters and superconductors (R.B. King). Thermodynamics of phase transitions in metal cluster systems (M.H. Lee). Random graph models for physical systems (K.T. Balinska, L.V. Quintas). From Gaussian subcritical to Holtsmark (3/2 - Levy Stable) supercritical asymptotic behavior in ``Rings Forbidden'' flory-stockmayer model of polymerization (B. Pittel et al.). Section D: Eigenvalues, Conjugated Systems, and Resonance. Ground-state multiplicities of organic di- and multi-radicals (M. Shen, O. Sinanoglu). Organic polyradicals, high-spin hydrocarbons, and organic ferromagnets (D.J. Klein, S.A. Alexander). Ground state properties of conjugated systems in a simple bond orbital resonance theory (BORT) (T.P. Zivkovic). The conjugated circuits model: On the selection of the parameters for computing the resonance energies (M. Randic et al.).
Series Title: Studies in physical and theoretical chemistry, v. 51.
Responsibility: edited by R.B. King and D.H. Rouvray.

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