computers in chemistry (biggs, pete)

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Chemical Education Today 1028 Journal of Chemical Education Vol. 78 No. 8 August 2001 JChemEd.chem.wisc.edu Book & Media Reviews Computers in Chemistry by Pete Biggs Oxford University Press: Oxford, UK, 1999. 90 pp. Paperback: ISBN 0-19-850446-2. $12.95. reviewed by Jack K. Steehler This short, inexpensive book is #84 in the Oxford Chemistry Primers series, which covers fundamental topics at the undergraduate level. The goal of the text is to provide an overview of computers and their use in chemistry. One would think that a primer on computers in chem- istry would provide the reader with a solid introduction to molecular modeling and associated calculation techniques and visualization methods, both static and dynamic. I would also expect discussion of data analysis and interpretation by computer. Very little of this information is included in this text. Instead, there is a fuller treatment of the components of computers (CPU, memory), digital logic (logic chips, flip flops), interfacing (different types of analog-to-digital converters), and programming (Basic, Fortran, assembly language). The entire section on computational chemistry is only 11 pages and emphasizes the interface style of the soft- ware, with nothing about the computations themselves or the chemical basis or uses for the calculations. Later sections discuss LaTeX, Word, and ISIS/Draw for presenting material, but not in detail. Mention is made of the use of the Internet in chemistry, but this section is only one page long. I doubt this book will be widely useful as an introduction to computers in chemistry. It might help undergraduates who’d like a bit more information on computer hardware and interfacing than is found in a standard instrumental analysis textbook, but it falls short as a more general reference. Jack K. Steehler is in the Department of Chemistry, Roanoke College, Salem, VA 24153-3794; [email protected].

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Page 1: Computers in Chemistry (Biggs, Pete)

Chemical Education Today

1028 Journal of Chemical Education • Vol. 78 No. 8 August 2001 • JChemEd.chem.wisc.edu

Book & Media Reviews

Computers in Chemistry

by Pete Biggs

Oxford University Press: Oxford, UK, 1999. 90 pp.Paperback: ISBN 0-19-850446-2. $12.95.

reviewed by Jack K. Steehler

This short, inexpensive book is #84 in the OxfordChemistry Primers series, which covers fundamental topicsat the undergraduate level. The goal of the text is to providean overview of computers and their use in chemistry.

One would think that a primer on computers in chem-istry would provide the reader with a solid introduction tomolecular modeling and associated calculation techniques andvisualization methods, both static and dynamic. I would alsoexpect discussion of data analysis and interpretation bycomputer. Very little of this information is included in this

text. Instead, there is a fuller treatment of the componentsof computers (CPU, memory), digital logic (logic chips,flip flops), interfacing (different types of analog-to-digitalconverters), and programming (Basic, Fortran, assemblylanguage). The entire section on computational chemistry isonly 11 pages and emphasizes the interface style of the soft-ware, with nothing about the computations themselves or thechemical basis or uses for the calculations. Later sections discussLaTeX, Word, and ISIS/Draw for presenting material, butnot in detail. Mention is made of the use of the Internet inchemistry, but this section is only one page long.

I doubt this book will be widely useful as an introductionto computers in chemistry. It might help undergraduateswho’d like a bit more information on computer hardware andinterfacing than is found in a standard instrumental analysistextbook, but it falls short as a more general reference.

Jack K. Steehler is in the Department of Chemistry, RoanokeCollege, Salem, VA 24153-3794; [email protected].