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Computers in Chemical Education and Research

  • Book
  • © 1977

Overview

Editors:
  1. Eduardo V. Ludeña

    1. Instituto Venezolano de Investigaciones Cientificas, Caracas, Venezuela

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  2. Nora H. Sabelli

    1. University of Illinois, Chicago Circle Chicago, USA

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    You can also search for this editor in PubMed   Google Scholar

  3. Arnold C. Wahl

    1. Science Applications, Inc., Schaumburg, USA

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    You can also search for this editor in PubMed   Google Scholar

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Table of contents (22 chapters)

  1. Front Matter

    Pages i-xi
    Download chapter PDF

  2. Mapping of Chemical Data Bases Using a Relational Data Base Structure

    • Martha E. Williams, Keith MacLaury
    Pages 3-23

  3. Computer Aided Design of Experiments and Automatic Data Processing

    • P. A. D. deMaine, J. A. Lucas II, M. Stubican
    Pages 25-47

  4. Computer-Based Teaching of Chemistry

    • Stanley G. Smith
    Pages 49-57

  5. Computer Enhanced Chemical Education: Any Computer Can be Used

    • George Brubaker
    Pages 59-86

  6. The Effective Use of Non-Tutorial Computer Methods in Chemistry Education

    • Ronald W. Collins
    Pages 87-111

  7. The Computer’s Role in Undergraduate Chemistry Education: Report on a Study for UNESCO

    • Peter Lykos
    Pages 113-131

  8. Automation in an Industrial Research Laboratory

    • W. E. Kaufman, F. J. Krambeck, C. D. Prater, V. W. Weekman Jr.
    Pages 133-144

  9. Current Research and Development in Computer-Aided Process Design

    • Arthur W. Westerberg
    Pages 145-169

  10. Theoretical Studies of Metal Clusters as Models for Surface Phenomena

    • R. P. Messmer, D. R. Salahub
    Pages 171-188

  11. Semi-Empirical Molecular Orbital Calculations Relevant to Adsorption and Catalysis on Metal Surfaces

    • George Blyholder
    Pages 189-209

  12. Comparison of Different Theoretical Approaches in the Study of Chemisorption on Metal Sources

    • Norah V. Cohan, Mariana Weissmann
    Pages 211-224

  13. Cluster Method Multiple Scattering Calculations of Electronic Density of States of Amorphous and Liquid Metallic Alloys

    • Jaime Keller
    Pages 225-260

  14. Description of Rapid Rearrangements with the Aid of Longuet-Higgins Group Theory. Spectroscopy and Reaction Mechanisms

    • Carl Trindle, Thomas Bouman, Sambhu Datta, Charles Duncan
    Pages 261-290

  15. The Study of Chemical Structure and Reactivity by Means of Computations

    • Massimo Simonetta
    Pages 291-308

  16. Computer Determination of Molecular Properties for Diatomics

    • L. Engelbrecht, Juergen Hinze
    Pages 309-336

  17. Computers as an Aid in Organic Synthesis Design

    • Josef Brandt, Josef Friedrich, Johann Gasteiger, Clemens Jochum, Wolfgang Schubert, Ivar Ugi
    Pages 337-356

  18. Chemistry of Large Molecular Systems Using Molecular Quantum Mechanics

    • R. P. Angeli, S. D. Hornung, R. E. Christoffersen
    Pages 357-379

  19. Computer Planning of Research in Organic Chemistry

    • W. Todd Wipke
    Pages 381-391

  20. Computer Aided Interpretation of Spectroscopic Data for the Structure Elucidation of Organic Compounds

    • J. T. Clerc
    Pages 393-400
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Keywords

Editors and Affiliations

  • Instituto Venezolano de Investigaciones Cientificas, Caracas, Venezuela

    Eduardo V. Ludeña

  • University of Illinois, Chicago Circle Chicago, USA

    Nora H. Sabelli

  • Science Applications, Inc., Schaumburg, USA

    Arnold C. Wahl

Bibliographic Information

  • Book Title: Computers in Chemical Education and Research

  • Editors: Eduardo V. Ludeña, Nora H. Sabelli, Arnold C. Wahl

  • DOI: https://doi.org/10.1007/978-1-4684-2406-5

  • Publisher: Springer New York, NY

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media New York 1977

  • Softcover ISBN: 978-1-4684-2408-9Published: 26 July 2012

  • eBook ISBN: 978-1-4684-2406-5Published: 09 March 2013

  • Edition Number: 1

  • Number of Pages: XI, 476

  • Topics: Science, Humanities and Social Sciences, multidisciplinary

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