Using computers in chemistry and chemical education

著者

書誌事項

Using computers in chemistry and chemical education

edited by Theresa Julia Zielinski and Mary L. Swift

American Chemical Society, c1997

大学図書館所蔵 件 / 全8件

この図書・雑誌をさがす

注記

Includes bibliographical references and index

内容説明・目次

内容説明

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.

目次

  • PART I. A VIEW OF THE CODEPENDENCE OF CHEMISTRY AND COMPUTERS
  • 1. Beyond lecture--a vision of the computer in the modern chemistry classroom
  • 2. The evolution of computers in chemistry
  • 3. Training the practicing chemist
  • 4. Industrial considerations--information technology and its effect on corporate culture
  • 5. Computing & communications in chemistry education
  • PART II. ACCESSING CHEMICAL INFORMATION
  • 6. Information retrieval in chemistry across the internet
  • 7. Coping with the transformation of chemical information
  • PART III. FUNDAMENTAL COMPUTER SKILLS IN MODERN CHEMICAL PRACTICE
  • 8. Beyond the basics: what chemistry students need to know about computing
  • 9. Spreadsheets for doing and teaching chemistry
  • 10. Software for teaching and using numerical methods in physical chemistry
  • 11. A framework for the teaching of computer-instrument interfacing
  • 12. Statistical methods in chemistry: what and how they should be integrated into the curriculum
  • 13. Visualization for chemists
  • PART IV. COMPUTATIONAL CHEMISTRY IN THE CURRICULUM
  • 14. Ab initio techniques in chemistry: interpretation and visualization
  • 15. Computer chemistry: a curse or the way of the future?
  • 16. Molecular graphics and simulation of proteins and nucleic acids
  • 17. Molecular modeling and drug design
  • PART V. TEACHING CHEMISTRY WITH COMPUTERS
  • 18. Teaching organic chemistry on-line--the promise and the reality
  • 19. Computer-assisted instruction in chemistry

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