Chemical Calculations: Mathematics for Chemistry, Second Edition, 2nd Edition (Paperback) book cover

Chemical Calculations

Mathematics for Chemistry, Second Edition, 2nd Edition

CRC Press

382 pages | 102 B/W Illus.

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Many undergraduate students enter into chemistry courses from a wide range of backgrounds, often possessing various levels of experience with the mathematical concepts necessary for carrying out practical calculations in chemistry. Chemical Calculations: Mathematics for Chemistry, Second Edition provides a unified, student-friendly reference of mathematical concepts and techniques incorporated into the context of familiar chemical topics.

Uniquely organized by chemical—rather than mathematical—topics, this book relates each mathematical technique to the chemical concepts where it applies. The new edition features additional, revised, and updated material in every chapter. It achieves greater clarity with newly improved organization of topics and cross-referencing where mathematical techniques occur more than once. The text also contains numerous worked examples along with end-of-chapter exercises and detailed solution—giving students the opportunity to apply previously introduced techniques to chemically related problems.

An ideal course companion for chemistry courses throughout the length of a degree, the second edition of Chemical Calculations: Mathematics for Chemistry may also extend its utility as a concise and practical reference for professionals in a wide array of scientific disciplines involving chemistry.


“…The volume’s unique feature is the arrangement according to chemical topics rather than mathematical topics, making it an excellent resource book for chemistry. The incorporation of chemical and mathematical indexes makes it an excellent reference book for chemistry students and practitioners. Yates has provided a unified, user-friendly book with mathematical concepts and techniques useful for applications to chemistry, designed for undergraduate chemistry use as the student encounters chemical topics in the curriculum. The flow if information, therefore, moves from chemical topics encountered in lower-level chemistry courses to topics covered in upper-division and first year graduate courses. Coverage of chemical topics is excellent, and mathematical concepts and techniques are appropriate to the chemical use of chemical examples from other scientific fields provides breath for chemistry students and support for students and professionals in other disciplines. This book provides the larger scientific community as well as the chemistry profession with a wealth of resources of value in a unique format suitable for undergraduates and professionals. Summing Up: Highly Recommended.”

— D.A. Johnson, Spring Arbor University, in Choice Magazine, September 2007, Vol. 45, No. 01

". . . an excellent book . . . It is hard to find such a well-written text covering the difficult area of mathematics in such an easy-to-read format . . . If you have been searching for a mathematics book to recommend this should be the one."

– P. Riby, in Chromatographia, March 2008, Vol. 67, No. 5/6

Table of Contents


Positive and Negative Numbers

Precedence in Equations

Rearranging Equations



Standard Form

Dealing With Uncertainty in Experimental Techniques

Displaying Uncertainties in the Measurement of Absorbance

Measurement in Chemistry

Stoichiometric Calculations

Uncertainty in Measurement


Fractions and Indices in the Equilibrium Constant

Bond Enthalpies

The Born–Haber Cycle

Heat Capacity

Clapeyron Equation

Clausius–Clapeyron Equation

The Ideal Gas Equation

The Van der Waals Equation

Equilibrium Constants

Solution Chemistry

Multiplication in the Calculation of Activity


Raoult’s Law

The Debye–Hückel Equation

Ostwald’s Dilution Law

Partial Molar Volumes


Using a Rate Equation

Rates of Change

Zero-Order Reactions

First-Order Reactions

Second-Order Reactions

The Arrhenius Equation

The Steady-State Approximation

Structural Chemistry

Packing Fractions of Atoms in Metals

Arrangement of Atoms in Crystals

Bragg’s Law

The Unit Cell

X-ray Diffraction

Symmetry Operators

Quantum Mechanics

Energy-Level Transitions and Appropriate Precision

The Photon

Forces Between Atoms

Particle in a Box

The Free Particle

The Hydrogen Atom Wave Function

The Helium Atom


Calculation of Dipole Moments

Dipole and Quadrupole Moments

Electromagnetic Radiation

The Beer–Lambert Law

Rotational Spectroscopy

Vibrational Spectroscopy

Rotation–Vibration Spectroscopy

Nuclear Magnetic Resonance Spectroscopy

Fourier Transform Spectroscopy

Statistical mechanics

Molecular Energy Distributions


The Boltzmann Equation

The Partition Function

Appendix A: Units

Appendix B: Physical Constants

Answers to Exercises

Answers to Problems

Chemical Index

Mathematical Index

*Each chapter contains Exercises and Problems, with Answers available at the end of the book

Subject Categories

BISAC Subject Codes/Headings:
SCIENCE / Chemistry / General
SCIENCE / Chemistry / Physical & Theoretical