Geometry of chemical graphs : polycycles and two-faced maps / Michel Deza, Mathieu Dutour Sikirić.

Format:

Book

Author/Creator:

Deza, M., 1939- author.

Dutour Sikirić, Mathieu, author.

Series:

Encyclopedia of mathematics and its applications ; v. 119.

Encyclopedia of mathematics and its applications ; volume 119

Language:

English

Subjects (All):

Molecules--Models.

Molecules.

Chemical models--Mathematics.

Chemical models.

Physical Description:

1 online resource (x, 306 pages) : digital, PDF file(s).

Place of Publication:

Cambridge : Cambridge University Press, 2008.

Language Note:

English

Summary:

Polycycles and symmetric polyhedra appear as generalisations of graphs in the modelling of molecular structures, such as the Nobel prize winning fullerenes, occurring in chemistry and crystallography. The chemistry has inspired and informed many interesting questions in mathematics and computer science, which in turn have suggested directions for synthesis of molecules. Here the authors give access to new results in the theory of polycycles and two-faced maps together with the relevant background material and mathematical tools for their study. Organised so that, after reading the introductory chapter, each chapter can be read independently from the others, the book should be accessible to researchers and students in graph theory, discrete geometry, and combinatorics, as well as to those in more applied areas such as mathematical chemistry and crystallography. Many of the results in the subject require the use of computer enumeration; the corresponding programs are available from the author's website.

Contents:

1. Introduction

2. Two-faced maps

3. Fullerenes as tilings of surfaces

4. Polycycles

5. Polycycles with given boundary

6. Symmetries of polycycles

7. Elementary polycycles

8. Applications of elementary decompositions to (r, q)-polycycles

9. Strictly face-regular spheres and tori

10. Parabolic weakly face-regular spheres

11. General properties of 3-valent face-regular maps

12. Spheres and tori that are aR[subscript i]

13. Frank-Kasper spheres and tori

14. Spheres and tori that are bR[subscript 1]

15. Spheres and tori that are bR[subscript 2]

16. Spheres and tori that are bR[subscript 3]

17. Spheres and tori that are bR[subscript 4]

18. Spheres and tori that are bR[subscript j] for j[greater than or equal to]5

19. Icosahedral fulleroids.

Notes:

Title from publisher's bibliographic system (viewed on 05 Oct 2015).

Includes bibliographical references and index.

ISBN:

1-139-88338-0

1-107-10164-6

1-107-10407-6

0-511-72131-5

1-107-09604-9

1-107-08974-3

1-107-09297-3

OCLC:

776976603