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Dermot Diamond and Venita C. A. Hanratty.
Wiley Interscience: New York, 1997. ISBN 0-471-14087-2.
Paper, $34.95.
Microsoft Excel is a spreadsheet program now in
its seventh version. Originally designed for use primarily as
a statistical database program for the business world,
Excel has been updated in recent years to include several
features that appeal to the scientific community. Among these
features are improved graphing, nonlinear curve fitting, and
a visual programming language. Excel is commonly used
by undergraduate chemistry students (primarily in the
laboratory) because it is easy to learn and readily available
in campus computer labs. Spreadsheet Applications in Chemistry using Microsoft Excel provides chemistry
instructors with an introduction to Excel and its applications in
chemistry. For those with little or no spreadsheet experience,
the first two chapters provide basics Excel uses,
including graphing, functions, and statistical analysis.
Experienced users will also find suggestions on customizing Excel in
the later chapters. This book comes with a 3.5-inch diskette
containing example spreadsheets that are discussed
within. One example file mentioned in the book was missing
from my diskette.
Physical chemistry is a major topic of interest in
the book. The authors demonstrate how to graph relevant
functions in introductory quantum chemistry. By
varying parameters such as the principal and orbital
quantum numbers, one can quickly visualize changes in the
radial distribution function of a hydrogen electron. Molecular
orbital wave functions and densities are also easily
graphed, demonstrating the difference between bonding and
antibonding orbitals. Other programs such as Mathematica
and Mathcad are also well suited to graphing wave
functions, but Excel can be used in the absence of such software.
Other physical chemistry topics discussed are
activity coefficients, kinetics (Arrhenius plots and rate
constants), and complex equilibria. The authors stress the
importance of observing graphically the result of changing variables
in the associated equations.
Chemists of all varieties will be interested in the
chapters on processing experimental data. The reader
learns how to import many types of data files into Excel and to
fit peaks. The ability to introduce any user-defined equation
is a necessity when fitting nonlinear data. Examples
are worked involving chromatographic peaks, fluorescence
decay processes, ion-selective electrodes, UV-vis absorption kinetic data at multiple wavelengths, and enzyme
kinetics. Software packages are available to fit experimental data
in black-box fashion, but with Excel the user (i.e., the
student) is required to thoroughly understand the fitting process
in order to implement the equations.
One of the great strengths of Excel is the user's
ability to customize an entire spreadsheet, including graphs,
with the use of dialog boxes. A dialog box allows one to
select parameters for a problem, click a button, and
immediately view the results. No entering of formulas or graphing
is needed. To construct a dialog box, one must
understand Excel's Visual Basic symbolic language. Curiously,
Visual Basic is first introduced in Chapter 3, but a full
discussion is left until the end of the book, Chapter 8. The reader
is led through several examples (titration curves,
electrochemical kinetics) in which lengthy graphing problems
are presented in a dialog box consisting of the key
experimental variables. Instead of programming the spreadsheet
by hand for each set of data, the user simply changes
the settings in the box, and the graphical results are
instantly updated. I recently saw an excellent application of
Visual Basic at the ACS Meeting in San Francisco, presented
by Professor Kim Cohn of California State University
at Bakersfield. Students input molecular data into a dialog
box (created from Visual Basic), and the
rotation-vibration spectrum of a diatomic molecule is automatically
graphed. The reader is warned in advance, however, that the
prescribed method of learning Visual Basic is by experimenting
with existing Visual Basic files and viewing their results.
This method of learning requires an immersion of oneself
into Excel and Visual Basic. Readers looking for a quick
and easy way to learn this programming language should
look elsewhere. However, for those willing to put forth
the effort, one can transform Excel into a valuable
classroom implement.
This book is aimed at several audiences. For those
who want to learn how to use Excel for chemistry
applications, it is highly recommended. Less attention is paid to
advanced applications such as peak fitting and
customizing Excel with macros and dialog boxes, but the interested
Excel user wishing to get started in this area will be put
on the right track.
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