Mathematics for Chemistry with Symbolic Computation

Teach and learn mathematics with a computer!

The Centre for Experimental and Constructive Mathematics in Simon Fraser University is pleased to announce the release of edition 5.0 of this interactive electronic textbook that operates with Maple software. This edition includes not only a revision and extension of all chapters of Part I Mathematics of Chemistry but also adds new chapters or extended treatment in Chapter 12 Introduction to Quantum Mechanics and Quantum Chemistry, Chapter 13 Optical Molecular Spectrometry, Chapter 14 Fourier Analysis and Chapter 18 Electric and Magnetic Properties of Chemical Matter to Part II. The latter chapter bearing number 18 implies that further chapters 15, 16 and 17 will be included in further editions.

The first edition of this textbook, released in 2005 October, was marketed by Maplesoft Inc. Subsequent editions result from thorough revision and major extension and expansion. Edition 3.0 released in 2010 December, edition 3.1 released in 2011 July, and edition 4.0 released in 2013 February were updates for further releases of Maple up to release 17. This electronic interactive textbook is available for download gratis from this CECM site on internet.

The objective of this book is, in Part I Mathematics for Chemistry, to teach the concepts and principles of all mathematics that a professor of chemistry might expect or hope that his students would learn in courses typically instructed by a professor of mathematics, and to enable their implementation with advanced mathematical software for symbolic computation or computer algebra. From an emphasis on the concepts and principles arises an expectation that a student might derive a more profound understanding of the mathematics than in traditional courses in which emphasis is placed on a student's capability to solve exercises; the implementation of the mathematical operations with powerful mathematical software means that the exercises are not restricted to trivial cases but are extensible to real applications. On such a basis a student is prepared and equipped to treat significant chemical problems.

The objective of part II is to present the mathematical foundations of significant aspects of chemistry typically included within courses of chemistry, with particular emphasis on the nature of the mathematical calculation, to accompany the discussion of chemical and physical principles and concepts, and their applications, presented in standard textbooks.

Although the title specifies Mathematics for Chemistry, in fact most content of chapters 0 to 8 involves pure mathematical and statistical topics, but some examples and exercises are based on chemical data. For this reason this book is equally useful for students of science and engineering in any branch, with the proviso that further examples and exercises should be devised to illuminate those particular fields. Because of the interactive nature of the content of this electronic textbook, it provides an effective tool for self study, but typical courses in almost a traditional format can be based on this textbook; supplementing with traditional textbooks as desired, an instructor can explain and discuss the mathematical concepts and principles in a lecture setting accompanied with intensive demonstrations based on this software and complemented with a supervised practice session in a computer laboratory; likely two hours per week of each component, supplemented by as much further independent practice and study as each student requires, would enable an optimal coverage of all topics from arithmetic to optimization within about 500 hours of total duration of formal classes, corresponding to three semesters or 1.5 years.

The operation of this software is optimum with Maple (releases 11 up to Maple 2016) in its 'classic' interface, although use of the standard or Java interface in the worksheet mode is feasible with an appropriate processor and extent of accessible memory. Only few and minor sections rely on Maple functionality subsequent to release 11.

This fifth edition is distributed in two parts, reflecting Parts I Mathematics for Chemistry and II Mathematics of Chemistry, because of the size of the compressed files. Part I is released on 2016 July 20; Part II follows shortly thereafter.

Much further information is available about the content and its operation is presented in a document MathChem.pdf . The actual pedagogical content of this interactive electronic textbook is divided into sixteen Maple worksheets, MathChm_.mws, in which _ implies 0, 1, 2 ...., 11, 12, 13, 14 and 18. A further document MthChemEd.pdf contains material from an article published in Journal of Chemical Education, 2007 April, that describes the philosophy of this approach to the teaching and learning of mathematics by students of chemistry, including allied fields and other subjects as mentioned above.

Download Mathematics for Chemistry with Symbolic Computation
  version 5.0, 2016 June 30, for Maple 2016   as compressed zip file of size 4.6 Megs.