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Computers in Chemistry

Pete Biggs

Publication Date - 24 August 2000

ISBN: 9780198504467

96 pages


Computers have become an integral part of chemistry. Virtually all modern scientific instrumentation contains some form of computer and, indeed, the operation of many instruments has become so complex that it is impossible without some degree of computer control. It is vital for the modern student of chemistry to have at least a basic knowledge of computers, and the deeper that knowledge is, the better use will be made of the techniques available.
Computers in Chemistry provides an excellent overview of computers and their use in chemistry, giving the student an insight into both the workings of a computer and the ways in which computer facilities can be effectively applied in the study of chemistry today. Topics covered include programming hardware, laboratory software, interfacing computers with experiments and presenting computed information.


  • Aimed directly at chemists - no other computing book like this
  • Provides a wide ranging overview of computers: from their internal architecture to the software used on them, along with details on interfacing and programming

About the Author(s)

Pete Biggs is Computer Manager at the Physical Chemistry Laboratory, Oxford.

Table of Contents

    1. Introduction
    2. The hardware
    3. Interfacing computers to experiments
    4. Programming the hardware
    5. Software for the laboratory
    6. Computational chemistry
    7. Presenting information
    8. Chemistry and the Internet

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