Mathematics for Chemistry with Symbolic Computation

J. F. Ogilvie

This interactive electronic textbook, in the form of *Maple* worksheets, is released in its sixth edition, 2021 August. This book has two major divisions, mathematics for chemistry -- the mathematics that any instructor of a course in chemistry would wish a student thereof to understand and to be able to implement, and mathematics of chemistry, in the sense of the classic volumes by Margenau and Murphy -- mathematical treatments of particular topics in chemistry from an introductory post-secondary level to a post-graduate level. The content, which includes not only chapters in previous editions that have been revised but also additional chapters on quantum mechanics, molecular spectrometry and advanced chemical kinetics, has been collected during two decades, with many contributions from other authors, acknowledged in particular locations. Each chapter includes not only explanatory treatments but also illuminating examples and exercises with chemical applications where practicable.

Mathematics for chemistry 0 introduction to Maple commands

1 numbers, symbols and elementary functions

2 plotting, geometry, trigonometry and functions

3 differential calculus

4 integral calculus

5 multivariate calculus

6 linear algebra

7 differential and integral equations

8 probability, statistics, regression and optimisation

Mathematics of chemistry 9 chemical equilibrium

10 group theory

11 graph theory

12 quantum mechanics in three parts -- models, atoms and molecules

13 molecular spectrometry

14 Fourier transforms

15 advanced chemical kinetics

16 dielectric and magnetic properties

The content freely available at https://www.maplesoft.com/applications/view.aspx?SID=154267 includes also a published report on teaching mathematics with symbolic software and an interactive periodic chart that yields information about particular chemical elements and their isotopic variants.

The nature of this electronic interactive textbook makes it applicable with an instructor in a traditional setting, or computer laboratory, for which the material of mathematics for chemistry could be reasonably covered in three or four semesters, but even for self study. The chapters on quantum mechanics and Fourier transforms are available as separate textbooks in the same format.