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Mathematical Concepts in Organic Chemistry
The present book is an attempt to outline some, certainly not all, mathematical aspects of modern organic chemistry. We have focused our attention on topological, graph-theoretical and group-theoretical features of organic chemistry, Parts A, B and C. The book is directed to all those chemists who use, or who intend to use mathe matics in their work, and especially to graduate students. The level of our exposition is adjusted to the mathematical background of graduate students of chemistry and only some knowledge of elementary algebra and calculus is required from the readers of the book. Some less well-known. but still elementary mathematical facts are collected in Appendices 1-4. This, how...
Chemical Graph Theory
This volume presents the fundamentals of graph theory and then goes on to discuss specific chemical applications. Chapter 1 provides a historical setting for the current upsurge of interest in chemical graph theory. Chapter 2 gives a full background of the basic ideas and mathematical formalism of graph theory and includes such chemically relevant notions as connectedness, graph matrix representations, metric properties, symmetry and operations on graphs. This is followed by a discussion on chemical nomenclature and the trends in its rationalization by using graph theory, which has important implications for the storage and retrieval of chemical information. This volume also contains a detailed discussion of the relevance of graph-theoretical polynomials; it describes methodologies for the enumeration of isomers, incorporating the classical Polya method, as well as more recent approaches.
Mathematics Unlimited - 2001 and Beyond
This is a book guaranteed to delight the reader. It not only depicts the state of mathematics at the end of the century, but is also full of remarkable insights into its future de- velopment as we enter a new millennium. True to its title, the book extends beyond the spectrum of mathematics to in- clude contributions from other related sciences. You will enjoy reading the many stimulating contributions and gain insights into the astounding progress of mathematics and the perspectives for its future. One of the editors, Björn Eng- quist, is a world-renowned researcher in computational sci- ence and engineering. The second editor, Wilfried Schmid, is a distinguished mathematician at Harvard University. Likewi- se the authors are all foremost mathematicians and scien- tists, and their biographies and photographs appear at the end of the book. Unique in both form and content, this is a "must-read" for every mathematician and scientist and, in particular, for graduates still choosing their specialty. Limited collector's edition - an exclusive and timeless work. This special, numbered edition will be available until June 1, 2000. Firm orders only.
Atomic Hypothesis and the Concept of Molecular Structure
"Imagination and shrewd guesswork are powerful instruments for acquiring scientific knowledge . . . " 1. H. van't Hoff The last decades have witnessed a rapid growth of quantum chemistry and a tremendous increase in the number of very accurate ab initio calculations of the electronic structure of molecules yielding results of admirable accuracy. This dramatic progress has opened a new stage in the quantum mechanical description of matter at the molecular level. In the first place, highly accurate results provide severe tests of the quantum mecha nics. Secondly, modern quantitative computational ab initio methods can be synergetically combined with various experimen tal techniques thus enabli...
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Zweihundert Jahre Entwicklung der Theoretischen Chemie im deutschsprachigen Raum
Die Theoretische Chemie hat eine zweihundert Jahre alte Tradition in der Chemie. Zu Anfang des 19. Jahrhunderts, als die Chemie sich als eigenständige Wissenschaft zu etablieren begann, erschienen ein- oder mehrbändige Werke zur Theoretischen Chemie. Das vorliegende Werk basiert auf einem Genealogie-Projekt des Autors, stellt gewissermaßen ein Who is who der Theoretischen Chemie dar und beschreibt ihre Entwicklung in Deutschland in den letzten 200 Jahren.
