Synopses & Reviews
Based on how computers are used in research and industry, this timely volume provides a practical curriculum for using computers in training chemists and other professionals. It spans the full range of applications, from spreadsheets to specialized software for ab initio calculations. With contributions from experts in a variety of fields, the book will be invaluable for anyone developing a college-level course in chemistry.
Table of Contents
Part I. A view of the codependence of chemistry and computers
1. Beyond lecture--a vision of the computer in the modern chemistry classroom, Theresa Julia Zielinski and Mary L. Swift
2. The evolution of computers in chemistry, Peter Lykos
3. Training the practicing chemist, Robert Megargle
4. Industrial considerations--information technology and its effect on corporate culture, Nancy Woo
5. Computingandcommunications in chemistry education, Martin S. Ewing
Part II. Accessing chemical information
6. Information retrieval in chemistry across the internet, F.S. Varveri
7. Coping with the transformation of chemical information, Carol Carr and Arleen N. Somerville
Part III. Fundamental computer skills in modern chemical practice
8. Beyond the basics: what chemistry students need to know about computing, Peter C. Jurs
9. Spreadsheets for doing and teaching chemistry, Daniel E. Atkinson
10. Software for teaching and using numerical methods in physical chemistry, Sidney H. Young, Jeffry D. Madura, and Frank Rioux
11. A framework for the teaching of computer-instrument interfacing, Kenneth L. Ratzlaff
12. Statistical methods in chemistry: what and how they should be integrated into the curriculum, Karen D. Rappaport
13. Visualization for chemists, John P. Ranck
Part IV. Computational chemistry in the curriculum
14. Ab initio techniques in chemistry: interpretation and visualization, James B. Foresman
15. Computer chemistry: a curse or the way of the future?, Warren Hehre
16. Molecular graphics and simulation of proteins and nucleic acids, Scott H. Northrup
17. Molecular modeling and drug design, Alexander Tropsha and J. Philip Bowen
Part V. Teaching chemistry with computers
18. Teaching organic chemistry on-line--the promise and the reality, Carolyn Sweeney Judd and Robert G. Ford
19. Computer-assisted instruction in chemistry, Stephen K. Lower