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) MATCH-online Volume no, 46 is now published Volume no. 45 is now published Volume no. 44 is now published ... Volume 31 Some information about submitting and preparing your paper for publication reading and downloading from MATCH ordering and prizes of MATCH It is not the intention to publish MATCH in electronic form in the near future. These home pages of MATCH will contain the editorial, the list of contents, sometimes the abstracts of the contributions, the computer corner and the reviews. kerber@uni-bayreuth.de

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 Workshop Announcement Call for Participation Program Abstracts ... Registration Form There is a $10/day registration fee to be collected on site, cash or check only. This fee is waived for Postdocs and graduate students. Information on Accommodations Information on Travel Arrangements Important Reimbursement Information Attendees who have been offered support should keep two rules in mind. Reimbursement for air travel can only be made for travel on US Flag Carriers REGARDLESS OF COST . (For example, travel on airlines such as United, Continental, USAir, and others that are United States based are allowable. Travel on airlines such as Lufthansa, SAS, Air Canada and other airlines based outside the US cannot be reimbursed by DIMACS.) The second rule to keep in mind is to get original receipts for all reimbursable expenses. Proceedings are available through the AMS (Volume 51 in the DIMACS Series): Ordering information, preface and table of contents.

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

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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

var AdLoaded = false; var bsid = '18707'; var bsads = '6'; var bsloc = ''; var bswx = 468; var bshx = 60; var bsw = '_top'; var bsb = 'FFFFFF'; var bsf = '000000'; var bsalt = 'off'; MaximumEdge.com Search E-Mail News ... Maps Dynamic Directory Top Science Math Applications :Mathematical Chemistry Description Events Research Groups See also: Science: Chemistry: Computational Algebraic Combinatorics in Mathematical Chemistry - By Klin, M.; Rücker, Ch.; Rücker, G.; Tinhofer, G. (PostScript format). Books on Mathematical Chemistry - Part of the Treasure Troves collection. Geometrization of the Language of Chemistry - Description of the project and list of publications. English/Bulgarian. Journal of Mathematical Chemistry - (Baltzer/Kluwer) Contents and abstracts from vol.21 (1997). Journal of Molecular Graphics and Modelling - (Elsevier) Formerly Journal of Molecular Graphics. Tables of contents from vol.13 (1995) on. Full text to subscribers. Keith Taylor's Mathematical Chemistry Page - Some notes on asymptotic linearity phenomena observed in the laboratory setting with families of hydrocarbons. MATCH: Communications in Mathematical and in Computer Chemistry - Contents, some abstracts and sections online.

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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