Using Computers in Chemistry and Chemical Education

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