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Discrete Mathematical Chemistry [Kietas viršelis]

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Discrete Mathematical ChemistryDidesnis paveikslėlis
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Pastovi nuoroda: https://www.kriso.lt/db/9780821809877.html
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Twenty-nine papers from the March 1998 workshop connect issues between chemistry, discrete mathematics, and computer science. Participants discussed theoretical problems of chemistry expressed by discrete mathematics, chemical graph algorithms, coding theory applied to chemistry, applications of discrete mathematics in the chemical industry, open problems and directions for research in discrete mathematical chemistry, and software for discrete mathematical chemistry. Specific topics include isomorphism rejection in structure generation programs, fast embeddings for planar molecular graphs, geometric symmetry and chemical equivalence, and numerical solution of the Laplace equation in chemical space. Annotation c. Book News, Inc., Portland, OR (booknews.com)
Participants xi Contributing Authors xiii Foreword xv Preface xvii Dedication xix The Clar and Fries Problems for Benzenoid Hydrocarbons are Linear Programs 1(8) H. Abeledo G. Atkinson Use of Graph Invariants in QMSA and Predictive Toxicology 9(16) S. C. Basak B. D. Gute Isomorphism Rejection in Structure Generation Programs 25(14) G. Brinkmann Foldedness in Linear Polymers: A Difference Between Graphical and Euclidean Distances 39(24) L. Bytautas D. J. Klein M. Randic T. Pisanski Enumeration of Fusenes to h=20 63(16) G. Caporossi P. Hansen M. Zheng Characterizing Properties of some Graph Invariants Related to Electron Charges in the Huckel Molecular Orbital Theory 79(6) D. Cvetkovic Fast Embeddings for Planar Molecular Graphs 85(12) O. Delgado Friedrichs More Icosahedral Fulleroids 97(20) O. Delgado Friedrichs M. Deza Representation of Stereochemistry using Combinatorial Maps 117(12) A. Dietz C. Fiorio M. Habib C. Laurenco Geometric Symmetry and Chemical Equivalence 129(10) B. T. Fan A. Panaye J. H. Yao S. G. Yuan J. P. Doucet (3,6)-Cages, Hexagonal Toroidal Cages, and their Spectra 139(36) P. W. Fowler P. E. John H. Sachs A Generalized Ring Spiral Algorithm for Coding Fullerenes and other Cubic Polyhedra 175(14) P. W. Fowler T. Pisanski A. Graovac J. Zerovnik An Efficient Algorithm for Determining Fixed Bonds and Normal Components in a Bipartite Graph 189(10) X. Guo M. Randic Numerical Solutions of the Laplace Equation in Chemical Spaces 199(4) R. Hefferlin Chemical Frameworks and Hyperbolic Tilings 203(22) S. T. Hyde S. Ramsden Discrete Mathematics for Combinatorial Chemistry 225(10) A. Kerber R. Laue T. Wieland Carbon Networks on Cubic Infinite Periodic Minimal Surfaces 235(14) R. B. King Applications of Isometric Embeddings to Chemical Graphs 249(12) S. Klavzar Geometrical and Combinatorial Questions About Fullerenes 261(6) J. Malkevitch Topological Methods of Molecular Shape Analysis: Continuum Models and Discretization 267(12) P. G. Mezey Random Networks in Two Dimensions. Simulations and Correlations 279(14) H. M. Ohlenbusch N. Rivier T. Aste B. Dubertret Group and Graph Theoretical Perspectives on the Structures of Large Icosahedral Cages 293(12) C. M. Quinn D. B. Redmond P. W. Fowler Use of Path Matrices for a Characterization of Molecular Structures 305(18) M. Randic X. Guo S. Bobst Star Sets and Star Complements in Finite Graphs: A Spectral Construction Technique 323(10) P. Rowlinson Geometry and Energetics of High Genus Fullerenes and Nanotubes 333(10) H. Terrones M. Terrones An Abstract Representation for Molecular Graphs 343(24) P. Vismara C. Laurenco The Wulff-Shape of Large Periodic Sphere Packings 367(10) J. M. Wills On Hypercycles and Hypercircuits in Hypergraphs 377(8) A. V. Zeigarnik On Maximal Energy Ordering of Acyclic Conjugated Molecules 385 F. Zhang H. Li