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Supercomputer and Chemistry 2

debis Workshop 1990 Ottobrunn, November 19–20, 1990

  • Conference proceedings
  • © 1991

Overview

Editors:
  1. Uwe Harms

    1. LRZ Ottobrunn, debis Systemhaus GmbH, Ottobrunn, Federal Republic of Germany

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Table of contents (12 papers)

  1. Front Matter

    Pages I-VII
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  2. Supercomputing — What is new

    • U. Harms
    Pages 1-6

  3. Local Area Networks — A Survey

    • G. Michalk
    Pages 7-16

  4. Public Broadband Networks — Present State and Future Perspectives

    • Paul Christ
    Pages 17-33

  5. Fast Access to Supercomputer Applications

    • K. P. Görtz, K. Schmidt
    Pages 35-45

  6. High Speed Networking Solutions

    • J. W. Adams, G. Hemminger
    Pages 47-59

  7. Computational Chemistry in Industry: A Parallel Direct SCF

    • Stefan Brode
    Pages 61-72

  8. Quantum Chemical Investigations of Reactive Intermediates. Carbocations and Alkyl Radicals

    • Wolfram Koch
    Pages 73-82

  9. Long Time Dynamics of Proteins: an off-Lattice Monte Carlo Method

    • E. W. Knapp, A. Irgens-Defregger
    Pages 83-106

  10. Quantum Mechanical Calculations of Small Molecules

    • G. Frenking
    Pages 107-132

  11. Parallel Processing and Computational Chemistry

    • Paul Weiner
    Pages 133-143

  12. The Direct IGLO Method for the Calculation of NMR Chemical Shifts with the Program TURBOMOLE

    • Ulrich Meier
    Pages 145-157

  13. Computer Aided Protein Design: Three Dimensional Model Building of the Saruplase Structure

    • W. Straßburger, W. Winter, G. J. Steffens, W. A. Günzler, L. Flohé
    Pages 159-166

  14. Back Matter

    Pages 167-168
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Keywords

Editors and Affiliations

  • LRZ Ottobrunn, debis Systemhaus GmbH, Ottobrunn, Federal Republic of Germany

    Uwe Harms

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