Research Catalog

Title

Discrete mathematical chemistry : DIMACS workshop, discrete mathematical chemistry, March 23-24, 1998, Rutgers University / Pierre Hansen, Patrick Fowler, Maolin Zheng, editors.

Publication

Providence, RI : American Mathematical Society, [2000], ©2000.

Items in the Library & Off-site

Holdings

Details

Additional Authors

• Hansen, P. (Pierre)
• Fowler, P. W.
• Zheng, Maolin, 1955-

Description

xxiv, 392 pages : illustrations; 26 cm.

Series Statement

DIMACS series in discrete mathematics and theoretical computer science, 1052-1798 ; v. 51

Uniform Title

DIMACS series in discrete mathematics and theoretical computer science ; v. 51.

Subject

• Chemistry > Mathematics > Congresses

Bibliography (note)

• Includes bibliographical references.

Contents

• The Clar and Fries Problems for Benzenoid Hydrocarbons are Linear Programs / H. Abeledo and G. Atkinson -- Use of Graph Invariants in QMSA and Predictive Toxicology / S. C. Basak and B. D. Gute -- Isomorphism Rejection in Structure Generation Programs / G. Brinkmann -- Foldedness in Linear Polymers: A Difference Between Graphical and Euclidean Distances / L. Bytautas, D. J. Klein and M. Randic / [et al.] -- Enumeration of Fusenes to h = 20 / G. Caporossi, P. Hansen and M. Zheng -- Characterizing Properties of some Graph Invariants Related to Electron Charges in the Huckel Molecular Orbital Theory / D. Cvetkovic -- Fast Embeddings for Planar Molecular Graphs / O. Delgado Friedriches -- More Icosahedral Fulleroids / O. Delgado Griedrichs and M. Deza -- Representation of Stereochemistry using Combinatorial Maps / A. Dietz, C. Fiorio and M. Habib / [et al.] -- Geometric Symmetry and Chemical Equivalence / B. T. Fan, A. Panaye and J. H. Yao / [et al.] --
• (3,6)-Cages, Hexagonal Toroidal Cages, and their Spectra / P. W. Fowler, P. E. John and H. Sachs -- A Generalized Ring Spiral Algorithm for Coding Fullerenes and other Cubic Polyhedra / P. W. Fowler, T. Pisanski and A. Graovac / [et al.] -- An Efficient Algorithm for Determining Fixed Bonds and Normal Components in a Bipartite Graph / X. Guo and M. Randic -- Numerical Solutions of the Laplace Equation in Chemical Spaces / R. Hefferlin -- Chemical Frameworks and Hyperbolic Tilings / S. T. Hyde and S. Ramsden -- Discrete Mathematics for Combinatorial Chemistry / A. Kerber, R. Laue and T. Wieland -- Carbon Networks on Cubic Infinite Periodic Minimal Surfaces / R. B. King -- Applications of Isometric Embeddings to Chemical Graphs / S. Klavzar -- Geometrical and Combinatorial Questions About Fullerenes / J. Malkevitch -- Topological Methods of Molecular Shape Analysis: Continuum Models and Discretization / P. G. Mezey --
• Random Networks in Two Dimensions. Simulations and Correlations / H. M. Ohlenbusch, N. Rivier and T. Aste / [et al.] -- Group and Graph Theoretical Perspectives on the Structures of Large Icosahedral Cages / C. M. Quinn, D. B. Redmond and P. W. Fowler -- Use of Path Matrices for a Characterization of Molecular Structures / M. Randic, X. Guo and S. Bobst -- Star Sets and Star Complements in Finite Graphs: A Spectral Construction Technique / P. Rowlinson -- Geometry and Energetics of High Genus Fullerenes and Nanotubes / H. Terrones and M. Terrones -- An Abstract Representation for Molecular Graphs / P. Vismara and C. Laurenco -- The Wulff-Shape of Large Periodic Sphere Packings / J. M. Wills -- On Hypercycles and Hypercircuits in Hypergraphs / A. V. Zeigarnik -- On Maximal Energy Ordering of Acyclic Conjugated Molecules / F. Zhang and H. Li.

ISBN

0821809873 (alk. paper)

LCCN

99059470

OCLC

• 42921392
• ocm42921392
• SCSB-3886110

Owning Institutions

Columbia University Libraries