Skip to main content
SpringerLink
Log in
Book cover

Potential Energy Functions in Conformational Analysis

  • Textbook
  • © 1985

Overview

Authors:
  1. Kjeld Rasmussen

    1. Chemistry Department, Technical University of Denmark, Lyngby, Denmark

    View author publications

    You can also search for this author in PubMed   Google Scholar

Part of the book series: Lecture Notes in Chemistry (LNC, volume 37)

This is a preview of subscription content, log in via an institution to check access.

Access this book

Log in via an institution
eBook USD 39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access

Licence this eBook for your library

Institutional subscriptions

Table of contents (18 chapters)

  1. Front Matter

    Pages N2-XIII
    Download chapter PDF

  2. Introduction

    • Kjeld Rasmussen
    Pages 1-3

  3. Nomenclature

    • Kjeld Rasmussen
    Pages 5-16

  4. Potential energy functions: A review

    • Kjeld Rasmussen
    Pages 17-37

  5. Applications: Coordination complexes

    • Kjeld Rasmussen
    Pages 39-48

  6. Applications: Saccharides

    • Kjeld Rasmussen
    Pages 49-61

  7. Applications: Other compounds

    • Kjeld Rasmussen
    Pages 63-65

  8. Optimisation: Algorithms and implementation

    • Kjeld Rasmussen
    Pages 67-80

  9. A data bank for optimisation

    • Kjeld Rasmussen, Birgit Rasmussen
    Pages 81-94

  10. Potential energy functions: Optimisations

    • Kjeld Rasmussen
    Pages 95-117

  11. Applications: Alkanes and cycloalkanes

    • Kjeld Rasmussen
    Pages 119-130

  12. Extension to crystals

    • Kjeld Rasmussen, Lars-Olof Pietilä
    Pages 131-154

  13. Potential energy functions: Recommendations

    • Kjeld Rasmussen
    Pages 155-159

  14. Appendix 1 Availability of the Lyngby CFF program

    • Kjeld Rasmussen
    Pages 161-161

  15. Appendix 2 User Manual

    • Birgit Rasmussen, Kjeld Rasmussen
    Pages 163-192

  16. Appendix 3 The system of programs

    • Kjeld Rasmussen
    Pages 193-196

  17. Appendix 4 JCL procedure CFF

    • Kjeld Rasmussen
    Pages 197-200

  18. Appendix 5 TSO command list CFF

    • Kjeld Rasmussen
    Pages 201-206

  19. Appendix 6 The future of CFF

    • Kjeld Rasmussen
    Pages 207-208

  20. Back Matter

    Pages 209-235
    Download chapter PDF
Back to top

Keywords

About this book

I get by with a little help from my friends The Beatles: Sgt. Pepper This book should have been in Danish. Any decent person must be able to express himself in his mother's tongue, also when expounding scientific ideas and results. Had I stuck to this ideal, the book would have been read by very few people, and, indeed, appreciated by even fewer. Having it publ­ ished in English gives me a chance to fulfill one ambition: to be read and judged by the international scientific community. Another reason is that the majority of my professional friends are regrettably unread in Danish, just as I am in Hebrew, Finnish and even Italian. I want to deprive them of the most obvious excuse for not reading my opus. Like a man I admired, I will first of all thank my wife. In his autobiography, Meir Weisgal, then President of the Weizmann Insti­ tute of SCience, wrote about his wife: "In addition to her natural endowments - which are considerable - she was a more than competent part-tim~ secretary." He wrote on, and so shall I. The book has been edited by my wife. So if the reader finds the layout pleasant as, in actual fact, I myself do, Birgit is to be praised. If there are blemishes, I am to be blamed for not having caught them.

Authors and Affiliations

  • Chemistry Department, Technical University of Denmark, Lyngby, Denmark

    Kjeld Rasmussen

Bibliographic Information

  • Book Title: Potential Energy Functions in Conformational Analysis

  • Authors: Kjeld Rasmussen

  • Series Title: Lecture Notes in Chemistry

  • DOI: https://doi.org/10.1007/978-3-642-45591-9

  • Publisher: Springer Berlin, Heidelberg

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer-Verlag Berlin Heidelberg 1985

  • Softcover ISBN: 978-3-540-13906-5Published: 01 January 1985

  • eBook ISBN: 978-3-642-45591-9Published: 06 December 2012

  • Series ISSN: 0342-4901

  • Series E-ISSN: 2192-6603

  • Edition Number: 1

  • Number of Pages: XIV, 240

  • Topics: Theoretical and Computational Chemistry, Physical Chemistry

Publish with us

Policies and ethics

Back to top

Search

Navigation