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Computers in Chemical and Biochemical Research, Volume 1, is the first of multi-volume series that provides updated information on developments in computer-assisted techniques for chemical and biochemical research. Each volume will include a variety of review articles by expert practicing computer-chemists and biochemists, dealing with a wide array of topics. These will range from delineations of design philosophies and of laboratory computer systems to descriptions of special computer hardware developed to solve specific problems. Also included will be articles discussing algorithms, languages, and programming techniques; articles devoted to the more important applications of digital computer methods to specific problems (e.g., Fourier transform spectrometry, stopped-flow kinetics, automated spectrophotometry); and aticles devoted to techniques for training both graduates and undergraduates in laboratory computing.
The present text contains seven chapters and begins with a description of an educational program on digital computer instrumentation for the chemistry laboratory. Subsequent chapters cover topics such as multiprocessor systems in laboratory automation; a simple computer system for on-line data collection and manipulation in the biochemical laboratory; Fourier transform spectroscopy; and a small computer system used to collect and process data from three electron spin resonance spectrometers at the University of Oregon.
List of Contributors
Training Chemists in Laboratory Computing
I. A Postgraduate Laboratory Course on Digital Computers in Chemical Instrumentation
II. Introduction of Digital Computer Technology into the Undergraduate Chemistry Laboratory
Multiprocessor Systems in Laboratory Automation
II. Computer Facilities Required for Laboratory Automation
III. Laboratory Automation
The Mülheim Computer System
II. Hardware Configuration
III. The Interactive Multi-User Time-Sharing System
IV. Software for On-Line Instruments
V. Status of the System
VI. Computer and Its Consequences
VII. Comparison with Other Systems
A Laboratory Computer System for Biochemical Research
II. General Principles and System Objectives
III. Some Comments about Software
IV. The Computer System
V. Specific Applications
VI. Miscellaneous Applications
Fourier Transform Spectrometry in Chemical Research
II. Fourier Transform Spectroscopy-IR
III. Primary Signal Processing: Getting the Information Through
IV. Applications of Rapid-Scanning Interferometry
V. Fourier Transform Spectroscopy in Nuclear Magnetic Resonance: Basic Concepts
VI. FTS-NMR: Laboratory Computer Systems in Practice
The Dedicated Computer in Electron Spin Resonance Spectroscopy
A Practical Computer-Based Information Retrieval System
II. Types of Information Services Currently Available
III. The General Parameters for a Practical System
Appendix I. Afcirs-I Command Language in Backus-Naur Form
Appendix II. The Benchmark Command
Appendix III. Values of Physical Properties and the Value-Form of the Search Command
Appendix IV. Afcirs-II Command Language
- No. of pages:
- © Academic Press 1972
- 1st January 1972
- Academic Press
- eBook ISBN:
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