AMS eBook CollectionsOne of the world's most respected mathematical collections, available in digital format for your library or institution
Discrete Mathematical Chemistry
About this Title
Pierre Hansen, GERARD, Montreal, QC, Canada, Patrick Fowler, University of Exeter, Exeter, England and Maolin Zheng, Lexis-Nexis, Miamisburg, OH, Editors
Publication: DIMACS Series in Discrete Mathematics and Theoretical Computer Science
Publication Year:
2000; Volume 51
ISBNs: 978-0-8218-0987-7 (print); 978-1-4704-4009-1 (online)
DOI: https://doi.org/10.1090/dimacs/051
MathSciNet review: MR1762928
MSC: Primary 92-06; Secondary 05-06
ReadershipTable of Contents
Front/Back Matter
Chapters
- The Clar and Fries problems for benzenoid hydrocarbons are linear programs
- Use of graph invariants in QMSA and predictive toxicology
- Isomorphism rejection in structure generation programs
- Foldedness in linear polymers: A difference between graphical and Euclidean distances
- Enumeration of fusenes to $h$ = 20
- Characterizing properties of some graph invariants related to electron charges in the Hückel molecular orbital theory
- Fast embeddings for planar molecular graphs
- More icosahedral fulleroids
- Representation of stereochemistry using combinatorial maps
- Geometric symmetry and chemical equivalence
- (3-6)-cages, hexagonal toroidal cages, and their spectra
- A generalized ring spiral algorithm for coding fullerenes and other cubic polyhedra
- An efficient algorithm for determining fixed bonds and normal components in a bipartite graph
- Numerical solutions of the Laplace equation in chemical spaces
- Chemical frameworks and hyperbolic tilings
- Discrete mathematics for combinatorial chemistry
- Carbon networks on cubic infinite periodic minimal surfaces
- Applications of isometric embeddings to chemical graphs
- Geometrical and combinatorial questions about fullerenes
- Topological methods of molecular shape analysis: Continuum models and discretization
- Random networks in two dimensions. Simulations and correlations
- Group and graph theoretical perspectives on the structures of large icosahedral cages
- Use of path matrices for a characterization of molecular structures
- Star sets and star complements in finite graphs: A spectral construction technique
- Geometry and energetics of high genus fullerenes and nanotubes
- An abstract representation for molecular graphs
- The Wulff-shape of large periodic sphere packings
- On hypercycles and hypercircuits in hypergraphs
- On maximal energy ordering of acyclic conjugated molecules