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         Mathematical Chemistry:     more books (100)
  1. Simple Theorems, Proofs and Derivations in Quantum Chemistry (Mathematical and Computational Chemistry) by Istvan Mayer, 2010-11-02
  2. Equations of Mathematical Physics (Dover Books on Physics and Chemistry) by A. N. Tikhonov, A. A. Samarskii, 1990-08-01
  3. Mathematical Preparation for Physical Chemistry by Farrington Daniels, 1959-12
  4. Mathematical Models in Population Biology and Epidemiology (Texts in Applied Mathematics) by Fred Brauer, Carlos Castillo-Chavez, 2010-11-02
  5. Mathematical Chemistry
  6. Mathematical Preparation for General Chemistry by William L. Masterton, 1982-01
  7. Mathematical Techniques in Crystallography and Materials Science by Edward Prince, 2004-05-14
  8. Special Functions of Mathematical Physics and Chemistry (LMT) by I. N. Sneddon, 1980-08
  9. Mathematical Challenges from Theoretical/Computational Chemistry by Committee on Mathematical Challenges from Computational Chemistry, National Research Council, 1995-03-29
  10. Discrete Mathematical Chemistry: Dimacs Workshop, Discrete Mathematical Chemistry, March 23-24, 1998, Rutgers University (Dimacs Series in Discrete Mathematics and Theoretical Computer Science)
  11. Chemical Topology: Introduction and Fundamentals (Mathematical Chemistry, Volume 5)
  12. High-Resolution NMR Techniques in Organic Chemistry, Volume 27, Second Edition (Tetrahedron Organic Chemistry) by T.D.W. Claridge, 2008-12-05
  13. Many-Electron Densities and Reduced Density Matrices (Mathematical and Computational Chemistry)
  14. Mathematical Methods in Chemistry and Physics by M.E. Starzak, 1989-03-31

1. Match Home Page
MATCH communications in mathematical and in computer chemistry Volume no. 40, a special issue on Algebraic Combinatorics in mathematical chemistry (eds. M. Klin, G. Tinhofer)
http://www.mathe2.uni-bayreuth.de/match/Welcome.html
Founded by: O.E. Polansky+ in 1975

Address:

Prof. Kerber (MATCH) Department of Mathematics University of Bayreuth D-95440 Bayreuth Germany email: kerber@uni-bayreuth.de

Editors:
A.T. Balaban (Galveston, Texas), A. Dreiding A. Kerber (Bayreuth), D. J. Klein (Galveston), I. Ugi N.S. Zefirov (Moskau)

Managing Editor:
A. Kerber (Bayreuth)

Editorial Board:
D. Bonchev (Houston), J. Brickmann (Darmstadt), H. B. Buergi (Bern), A. Dress (Bielefeld), J. Gasteiger K. Varmuza (Wien), E. Wassermann (Wilmington), M. Zander (Castrop-Rauxel)

2. Keith Taylor's Mathematical Chemistry Page
mathematical chemistry Research Unit My interest in mathematical questions from chemistry began in the early 80s from work on the symmetry groups of crystals.
http://math.usask.ca/~taylor/math.chem.html
Mathematical Chemistry Research Unit
My interest in mathematical questions from chemistry began in the early 80s from work on the symmetry groups of crystals. Through that work I established scholarly contact with chemists and became invoved with the formation of the Mathematical Chemistry Research Unit at the University of Saskatchewan. The unit is co-directed by Prof. Paul Mezey from the Department of Chemistry and myself. Its purpose is to facilitate collaborative work between mathematicians and chemists.
Asymptotic Properties
One of the current projects of the Mathematical Chemistry Research Unit that is of particular interest to me involves certain asymptotic linearity phenomena observed in the laboratory setting with families of hydrocarbons. The driving force behind this project is Prof. Shigeru Arimoto who has been studying these and related phenomena since 1978 and gave the first proof of the Asymptotic Linearity Theorem in 1987 which is fundamental to elucidate the mechanism of additivity phenomena in physico-chemical network systems. He has formulated the mathematical notion of a Repeat Space which he and collaborators used to explain the observed asymptotic linearities. These results suggested a multitude of other questions which we are investigating. I will sketch the mathematical setting below. Let q and r be fixed natural numbers.

3. Home
Information about laboratory's research, projects, software, and personnel.
http://omega.btu.bg/

4. Klin, M.; Rücker, Ch.; Rücker, G.; Tinhofer, G. : Algebraic Combinatorics...
Title Algebraic Combinatorics in mathematical chemistry. Methods and Algorithms.
http://www-lit.ma.tum.de/veroeff/html/950.05003.html
Klin, M.; Rücker, Ch.; Rücker, G.; Tinhofer, G. : Algebraic Combinatorics...
Author(s)
Klin, M.; Rücker, Ch.; Rücker, G.; Tinhofer, G.
Title
Algebraic Combinatorics in Mathematical Chemistry. Methods and Algorithms. I. Permutation Groups and Coherent (Cellular) Algebras
Electronic source
[gzipped ps-file] [gzipped ps-file]
(The gzipped ps-file on this server includes the official cover pages of the report, pictures in the report might not appear in dvi-versions)
Preprints series

Mathematics Subject Classification
05C25 [ Combinatorics, Graph theory, Graphs and groups]
05C60 [ Combinatorics, Graph theory, Isomorphism problems (reconstruction conjecture, perfect graphs, etc.)]
05E99 [ Combinatorics, Algebraic combinatorics, None of the above but in this section]
Abstract

Keywords
mathematical chemistry
Language
English
Publication time

Kommentare, Fragen oder Anregungen bitte per e-mail an kaplan@mathematik.tu-muenchen.de Michael Kaplan , 29 Nov 99 (11:54)

5. DIMACS Workshop On Discrete Mathematical Chemistry
DIMACS, Rutgers University; 2325 March 1998. Proceedings can be ordered.Category Science Math mathematical chemistry Events Past Events......DIMACS Workshop on Discrete mathematical chemistry. March 2325, 1998 DIMACS, RutgersUniversity Organizers Pierre Hansen, Patrick W. Fowler, Maolin Zheng.
http://dimacs.rutgers.edu/Workshops/Chemistry/
DIMACS Workshop on Discrete Mathematical Chemistry
March 23-25, 1998
DIMACS, Rutgers University
Organizers: Pierre Hansen, Patrick W. Fowler, Maolin Zheng

6. Indo-US Workshop Main Page
With Applications in Molecular Design and Hazard Assessment of Chemicals. Visva-Bharati University, Category Science Math mathematical chemistry Events Past Events......FIRST INDOUS WORKSHOP ON mathematical chemistry New! - Revised announcement andcall for papers for the Third Indo-US Workshop on mathematical chemistry.
http://wyle.nrri.umn.edu/India/

7. Second Indo-US Workshop Main Page
With Applications to Drug Discovery, Environmental Toxicology, Cheminformatics and Bioinformatics .Category Science Math mathematical chemistry Events Past Events......SECOND INDOUS WORKSHOP ON mathematical chemistry New! - Revised announcement andcall for papers for the Third Indo-US Workshop on mathematical chemistry.
http://wyle.nrri.umn.edu/IndoUS2/

8. Department Of Applied Mathematics - Mathematics Applied To Biology And Medicine
Department of Applied Mathematics, mathematical chemistry group. People, research, seminars, links.
http://www.amsta.leeds.ac.uk/Applied/research.dir/chem-biol.html
Department of Applied Mathematics
U NIVERSITY OF L EEDS Mathematical Chemistry Home Introduction People Research ...
Mr. D. Knapp
The Department enjoys substantial research collaboration with the Department of Physical Chemistry as well as interacting jointly with a series of distinguished visitors working in this field. Research work, linked partly to experimental work in Physical Chemistry, has been performed in three major areas: the interaction between diffusion and chemical reactions, chemical reaction models and smouldering combustion. The initiation and propagation of reaction-diffusion travelling waves have been investigated in detail for both autocatalytic waves and waves in excitable media. The conditions for the formation of these waves and their resulting structures have been analysed. This work has been extended to a consideration of travelling-waves in coupled reaction-diffusion systems (both autocatalytic and in excitable media); and the complex, sometimes chaotic, spatio-temporal structures that can be generated by the passage of a reaction-diffusion front have been studied. Recent work is directed towards understanding the travelling-wave structures that can arise in reaction-diffusion systems where there is also an additional mass transport resulting from the migration of the ionic chemical species under an applied electric field. A series of relatively simple prototype chemical reaction schemes have been analysed in considerable detail in an attempt to understand the behaviour that is possible in more complex kinetic schemes. These simple schemes have shown a multiplicity of steady states and sustained oscillatory behaviour through Hopf bifurcations, period doubling, quasi-periodicity and chaos.

9. Mathematical Chemistry
mathematical chemistry. Chopey, Nicholas P. (Ed.). Handbook of Chemical EngineeringCalculations, 2nd ed. . New York McGrawHill, 1993. $74.95. Tebbutt, Peter.
http://www.ericweisstein.com/encyclopedias/books/MathematicalChemistry.html
Mathematical Chemistry
Chopey, Nicholas P. (Ed.). Handbook of Chemical Engineering Calculations, 2nd ed. . New York: McGraw-Hill, 1993. $74.95. Tebbutt, Peter. Basic Mathematics for Chemists, 2nd ed. New York: Wiley, 1998. 292 p. $34.95.
http://www.ericweisstein.com/encyclopedias/books/books/MathematicalChemistry.html

10. Kluwer Academic Publishers - Journal Of Mathematical Chemistry
By Klin, M.; Rücker, Ch.; Rücker, G.; Tinhofer, G. (PostScript format).Category Science Math Applications mathematical chemistry...... Author(s) Klin, M.; Rücker, Ch.; Rücker, G.; Tinhofer, G. Title AlgebraicCombinatorics in mathematical chemistry. Methods and Algorithms.
http://www.kluweronline.com/issn/0259-9791/current
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11. Kluwer Academic Publishers - Journal Of Mathematical Chemistry
(Baltzer/Kluwer) Contents and abstracts from vol.21 (1997).
http://www.wkap.nl/journalhome.htm/0259-9791
This web page uses frames, but your browser doesn't support them.

12. Dynamic Directory - Science - Math - Applications - Mathematical Chemistry
Algebraic Combinatorics in mathematical chemistry By Klin, M.; Rücker, Ch.; Rücker, G.; Tinhofer, G. (PostScript
http://www.maximumedge.com/cgi/dir/index.cgi/Science/Math/Applications/Mathemati
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Dynamic Directory Top Science Math Applications :Mathematical Chemistry Description See also:

13. Babel, L.; Chuvaeva, I.V.; Klin, M.; Pasechnik, D.V. : Algebraic Combinatorics..
Author(s) Babel, L.; Chuvaeva, IV; Klin, M.; Pasechnik, DV Title AlgebraicCombinatorics in mathematical chemistry. Methods and Algorithms. II.
http://www-lit.ma.tum.de/veroeff/html/960.68019.html
Babel, L.; Chuvaeva, I.V.; Klin, M.; Pasechnik, D.V. : Algebraic Combinatorics...
Author(s)
Babel, L.; Chuvaeva, I.V.; Klin, M.; Pasechnik, D.V.
Title
Algebraic Combinatorics in Mathematical Chemistry. Methods and Algorithms. II. Program Implementation of the Weisfeiler-Leman Algorithm
Electronic source
[gzipped ps-file] [gzipped ps-file]
(The gzipped ps-file on this server includes the official cover pages of the report, pictures in the report might not appear in the dvi-versions)
Preprints series

Mathematics Subject Classification
68R10 [ Computer science, Discrete mathematics in relation to computer science, Graph theory]
05C85 [ Combinatorics, Graph theory, Graph algorithms]
05E99 [ Combinatorics, Algebraic combinatorics, None of the above but in this section]
Abstract
The stabilization algorithm of Weisfeiler and Leman has as an input any
square matrix $A$ of order $n$ and returns the minimal cellular
(coherent) algebra $W(A)$ which includes $A$.
vertices and, according to this information, partitions vertices and
ordered pairs of vertices into equivalence classes. The resulting

14. Mathematical Chemistry
mathematical chemistry Bibliography General Journals Departments Disciplines Personal home pages Software General
http://felix.unife.it/++/ma-che
Mathematical chemistry Bibliography General Journals Departments ... Software General Brookhaven Protein Data Bank Mathematics and Molecules Mathematical biochemistry Mathematical modeling of proteins ... Mathematical challenges in chemistry Disciplines Bioinformatics Chemistry Combinatorial chemistry Computer graphics ... Mathematical biology Departments Bayreuth Erlangen Computerchemie Innsbruck Molecular modeling Leeds New York Visualization at NYU Nijmegen CAOS/CAMM Center San Francisco Computer Graphics San Francisco Molecular Design Personal home pages Evgenii Babaev in Moskva in Halle John Brindley in Leeds Thomas Ferrin in San Francisco Mark Gerstein in Stanford Adalbert Kerber in Bayreuth Thomas Lengauer in St. Augustin Klaus Roman Liedl in Innsbruck Eric Martz in Amherst RasMol Paul Mezey in Saskatoon Alexander Schatten in Wien Keith Taylor in Saskatoon Thomas Wieland in Oberpfaffenhofen Software Linux scientific software Linux for chemistry SoftShell XMol ... Object Technology Framework (C++ classes for biochemistry) Journals J. Math. Chemistry

15. Home
Welcome to Laboratory of mathematical chemistry University Prof. Assen Zlatarov (www) 8010 Bourgas, Bulgaria tel++359 56 858 327 tel++359 56 858 390 fax++359 56 880 230 (more contact info) This website is hosted on a HP workstation, donated by
http://btu6.btu.bg/

16. Laboratory Of Mathematical Chemistry
This is the home page of the laboratory of mathematical chemistry. EUROBANNERTheEuropeanAdvertising Network Welcome to Laboratory of mathematical chemistry
http://omega.btu.bg/frame1.html
EUROBANNER-TheEuropean Advertising Network Welcome to Laboratory of Mathematical Chemistry
University Prof. Assen Zlatarov
8010 Bourgas, Bulgaria tel:++359 56 2738327 fax:++359 56 686141
This page is being redesigned now. Surf around more often and you can be the first to visit the renovated site.../ 29.07.99 webmaster@btu6.btu.bg This website is hosted on a HP workstation, donated by the Alexander von Humboldt Foundation

17. Algebraic Graph Theory Home Page
The general theme is the geometric representation of graphs and on this occasion the chosen area of application is discrete mathematical chemistry. Edinburgh, 913 July 2001.
http://www.ma.hw.ac.uk/icms/current/graph/
EuroWorkshop on Algebraic Graph Theory
Edinburgh 9-13 July 2001
Workshop Arrangements Scientific Programme Participants List Call for Papers ...
Click here for the report on this meeting in ICMS News 11
Timetable available on Scientific Programme page
Scientific Committee
  • D. Cvetkovic (Belgrade) W. Haemers (Tilburg) P. Rowlinson (Stirling).
The general themeof this second workshop on Algebraic Graph Theory is the geometric representation of graphs and on this occasion the chosen area of application is discrete mathematical chemistry. The workshop provides an opportunity for the scattered communities of algebraic graph theorists and mathematical chemists to discuss recent developments of mutual interest.
The main topics are seen as
  • the new fullerenes eigenspace techniques generalizations from distance-regular graphs topological considerations
In addition to formally timetabled lectures, there will be ample time for more informal discussion. Most days will begin and end with a lecture from a key speaker, with contributed short papers (20-25 minutes) timetabled in between (using two parallel sessions if necessary to avoid saturation).
The meeting is supported by
  • The European Commission (Framework V) The London Mathematical Society The British Combinatorial Committee
This meeting's pages last updated 05 July 2001 Future Events Travel Information Call for Proposals Publications ... Front Page

18. Second Indo-US Workshop Main Page
SECOND INDOUS WORKSHOP ON mathematical chemistry. With Applications to Drug Discovery, Environmental Toxicology,
http://www.nrri.umn.edu/IndoUS2

19. DIMACS Workshop On Discrete Mathematical Chemistry
DIMACS Workshop on Discrete mathematical chemistry. March 2325, 1998Rutgers University. Organizers Pierre Hansen pierreh@crt.umontreal
http://dimacs.rutgers.edu/Workshops/Chemistry/announcement.html
DIMACS Workshop on Discrete Mathematical Chemistry
March 23-25, 1998
Rutgers University
Organizers:
Pierre Hansen pierreh@crt.umontreal.ca
Patrick W. Fowler
Maolin Zheng
Discrete Mathematics have been used in chemistry for well over a century. Graph theory is a tool of choice to represent molecules (the name graph appears to have been coined by A. Cayley in the context of such studies), clusters or reaction paths. Group theory is much used for the study of molecular symmetries. Coding theory is basic in systematizing the enormous amount of chemical data available, in problems of enumeration of molecules, isomers, and families having various properties. Graph invariants are much used in Structure-Activity and Structure-Property Relationship studies. All these techniques are increasingly used by industry in the rapidly expanding fields of Computer-Assisted Molecular Design and Combinatorial Chemistry. The aim of the workshop would be to bring together
(i) chemists working in the mathematical chemistry field;
(ii) mathematicians and computer scientists working in that field;

20. Indo-US Workshop Main Page
FIRST INDOUS WORKSHOP ON mathematical chemistry. With Applications in Molecular Design and
http://www.nrri.umn.edu/India

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